1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

C280H304Cl8N48O37P8 — CID 157350018

IUPAC1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESC=C1NC(=O)C(C)=CN1C1CC(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(COP(=O)(Cl)N(C)C)O1.CC(C)C(=O)Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)C=NC1N=CNc2c1ncn2C1CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(COP(=O)(Cl)N(C)C)O1.CN(C)C=Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)P(=O)(Cl)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.CN(C)P(=O)(Cl)OCC1OC(n2cnc3c2NC=NC3NC(=O)c2ccccc2)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(NC2CC(n3ccc(NC(=O)c4ccccc4)nc3=O)OC2COP(=O)(Cl)N(C)C)(c2ccccc2)c2ccccc2)cc1.Cc1cn(C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C38H39ClN7O4P.C38H39ClN5O6P.C37H37ClN5O5P.C35H39ClN7O5P.C34H38ClN8O4P.C34H40ClN8O3P.C33H38ClN4O5P.C31H34ClN4O5P/c1-45(2)51(39,48)49-24-32-31(44-38(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-33(50-32)46-26-42-34-35(40-25-41-36(34)46)43-37(47)27-15-7-3-8-16-27;1-43(2)51(39,47)49-26-33-32(25-35(50-33)44-24-23-34(41-37(44)46)40-36(45)27-13-7-4-8-14-27)42-38(28-15-9-5-10-16-28,29-17-11-6-12-18-29)30-19-21-31(48-3)22-20-30;1-42(2)49(38,46)47-26-32-31(25-34(48-32)43-24-23-33(40-36(43)45)39-35(44)27-15-7-3-8-16-27)41-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-23(2)32(44)39-34-38-31-30(33(45)40-34)37-22-43(31)29-20-27(28(48-29)21-47-49(36,46)42(3)4)41-35(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)22-37-33-38-31-30(32(44)39-33)36-23-43(31)29-20-27(28(47-29)21-46-48(35,45)42(3)4)40-34(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)23-39-32-31-33(37-22-36-32)43(24-38-31)30-20-28(29(46-30)21-45-47(35,44)42(3)4)40-34(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;1-23-21-38(24(2)35-32(23)39)31-20-29(30(43-31)22-42-44(34,40)37(3)4)36-33(25-12-8-6-9-13-25,26-14-10-7-11-15-26)27-16-18-28(41-5)19-17-27;1-22-20-36(30(38)33-29(22)37)28-19-26(27(41-28)21-40-42(32,39)35(2)3)34-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-22,25-26,31-33,35,44H,23-24H2,1-2H3,(H,40,41)(H,43,47);4-24,32-33,35,42H,25-26H2,1-3H3,(H,40,41,45,46);3-24,31-32,34,41H,25-26H2,1-2H3,(H,39,40,44,45);5-19,22-23,27-29,41H,20-21H2,1-4H3,(H2,38,39,40,44,45);5-19,22-23,27-29,40H,20-21H2,1-4H3,(H,38,39,44);5-19,22-24,28-30,32,40H,20-21H2,1-4H3,(H,36,37);6-19,21,29-31,36H,2,20,22H2,1,3-5H3,(H,35,39);4-18,20,26-28,34H,19,21H2,1-3H3,(H,33,37,38)
InChIKeyBHKNDHDCFOUJOW-UHFFFAOYSA-N
MW5465.23 g/mol
LogP48.52
Rot. Bonds94

About 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide

1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (PubChem CID 157350018) has the molecular formula C280H304Cl8N48O37P8 and a molecular weight of 5465.23 g/mol. Its IUPAC name is 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
PubChem CID157350018
Molecular FormulaC280H304Cl8N48O37P8
Molecular Weight5465.23 g/mol
Exact Mass5457.88
IUPAC Name1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide
SMILESC=C1NC(=O)C(C)=CN1C1CC(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(COP(=O)(Cl)N(C)C)O1.CC(C)C(=O)Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)C=NC1N=CNc2c1ncn2C1CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(COP(=O)(Cl)N(C)C)O1.CN(C)C=Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)P(=O)(Cl)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.CN(C)P(=O)(Cl)OCC1OC(n2cnc3c2NC=NC3NC(=O)c2ccccc2)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(NC2CC(n3ccc(NC(=O)c4ccccc4)nc3=O)OC2COP(=O)(Cl)N(C)C)(c2ccccc2)c2ccccc2)cc1.Cc1cn(C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O
InChIInChI=1S/C38H39ClN7O4P.C38H39ClN5O6P.C37H37ClN5O5P.C35H39ClN7O5P.C34H38ClN8O4P.C34H40ClN8O3P.C33H38ClN4O5P.C31H34ClN4O5P/c1-45(2)51(39,48)49-24-32-31(44-38(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-33(50-32)46-26-42-34-35(40-25-41-36(34)46)43-37(47)27-15-7-3-8-16-27;1-43(2)51(39,47)49-26-33-32(25-35(50-33)44-24-23-34(41-37(44)46)40-36(45)27-13-7-4-8-14-27)42-38(28-15-9-5-10-16-28,29-17-11-6-12-18-29)30-19-21-31(48-3)22-20-30;1-42(2)49(38,46)47-26-32-31(25-34(48-32)43-24-23-33(40-36(43)45)39-35(44)27-15-7-3-8-16-27)41-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-23(2)32(44)39-34-38-31-30(33(45)40-34)37-22-43(31)29-20-27(28(48-29)21-47-49(36,46)42(3)4)41-35(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)22-37-33-38-31-30(32(44)39-33)36-23-43(31)29-20-27(28(47-29)21-46-48(35,45)42(3)4)40-34(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)23-39-32-31-33(37-22-36-32)43(24-38-31)30-20-28(29(46-30)21-45-47(35,44)42(3)4)40-34(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;1-23-21-38(24(2)35-32(23)39)31-20-29(30(43-31)22-42-44(34,40)37(3)4)36-33(25-12-8-6-9-13-25,26-14-10-7-11-15-26)27-16-18-28(41-5)19-17-27;1-22-20-36(30(38)33-29(22)37)28-19-26(27(41-28)21-40-42(32,39)35(2)3)34-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-22,25-26,31-33,35,44H,23-24H2,1-2H3,(H,40,41)(H,43,47);4-24,32-33,35,42H,25-26H2,1-3H3,(H,40,41,45,46);3-24,31-32,34,41H,25-26H2,1-2H3,(H,39,40,44,45);5-19,22-23,27-29,41H,20-21H2,1-4H3,(H2,38,39,40,44,45);5-19,22-23,27-29,40H,20-21H2,1-4H3,(H,38,39,44);5-19,22-24,28-30,32,40H,20-21H2,1-4H3,(H,36,37);6-19,21,29-31,36H,2,20,22H2,1,3-5H3,(H,35,39);4-18,20,26-28,34H,19,21H2,1-3H3,(H,33,37,38)
InChIKeyBHKNDHDCFOUJOW-UHFFFAOYSA-N
XLogP48.52
TPSA941.00 Ų
H-Bond Donors18
H-Bond Acceptors67
Rotatable Bonds94
Heavy Atoms381
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005465.23
LogP ≤ 548.52
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1067

Analyze 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The IUPAC name of 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide (CID 157350018) is 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide.
What is the SMILES notation for 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The canonical SMILES for 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is C=C1NC(=O)C(C)=CN1C1CC(NC(c2ccccc2)(c2ccccc2)c2ccc(OC)cc2)C(COP(=O)(Cl)N(C)C)O1.CC(C)C(=O)Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)C=NC1N=CNc2c1ncn2C1CC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C(COP(=O)(Cl)N(C)C)O1.CN(C)C=Nc1nc2c(ncn2C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]1.CN(C)P(=O)(Cl)OCC1OC(n2ccc(NC(=O)c3ccccc3)nc2=O)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.CN(C)P(=O)(Cl)OCC1OC(n2cnc3c2NC=NC3NC(=O)c2ccccc2)CC1NC(c1ccccc1)(c1ccccc1)c1ccccc1.COc1ccc(C(NC2CC(n3ccc(NC(=O)c4ccccc4)nc3=O)OC2COP(=O)(Cl)N(C)C)(c2ccccc2)c2ccccc2)cc1.Cc1cn(C2CC(NC(c3ccccc3)(c3ccccc3)c3ccccc3)C(COP(=O)(Cl)N(C)C)O2)c(=O)[nH]c1=O.
What is the InChIKey of 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
The InChIKey is BHKNDHDCFOUJOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H39ClN7O4P.C38H39ClN5O6P.C37H37ClN5O5P.C35H39ClN7O5P.C34H38ClN8O4P.C34H40ClN8O3P.C33H38ClN4O5P.C31H34ClN4O5P/c1-45(2)51(39,48)49-24-32-31(44-38(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30)23-33(50-32)46-26-42-34-35(40-25-41-36(34)46)43-37(47)27-15-7-3-8-16-27;1-43(2)51(39,47)49-26-33-32(25-35(50-33)44-24-23-34(41-37(44)46)40-36(45)27-13-7-4-8-14-27)42-38(28-15-9-5-10-16-28,29-17-11-6-12-18-29)30-19-21-31(48-3)22-20-30;1-42(2)49(38,46)47-26-32-31(25-34(48-32)43-24-23-33(40-36(43)45)39-35(44)27-15-7-3-8-16-27)41-37(28-17-9-4-10-18-28,29-19-11-5-12-20-29)30-21-13-6-14-22-30;1-23(2)32(44)39-34-38-31-30(33(45)40-34)37-22-43(31)29-20-27(28(48-29)21-47-49(36,46)42(3)4)41-35(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)22-37-33-38-31-30(32(44)39-33)36-23-43(31)29-20-27(28(47-29)21-46-48(35,45)42(3)4)40-34(24-14-8-5-9-15-24,25-16-10-6-11-17-25)26-18-12-7-13-19-26;1-41(2)23-39-32-31-33(37-22-36-32)43(24-38-31)30-20-28(29(46-30)21-45-47(35,44)42(3)4)40-34(25-14-8-5-9-15-25,26-16-10-6-11-17-26)27-18-12-7-13-19-27;1-23-21-38(24(2)35-32(23)39)31-20-29(30(43-31)22-42-44(34,40)37(3)4)36-33(25-12-8-6-9-13-25,26-14-10-7-11-15-26)27-16-18-28(41-5)19-17-27;1-22-20-36(30(38)33-29(22)37)28-19-26(27(41-28)21-40-42(32,39)35(2)3)34-31(23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h3-22,25-26,31-33,35,44H,23-24H2,1-2H3,(H,40,41)(H,43,47);4-24,32-33,35,42H,25-26H2,1-3H3,(H,40,41,45,46);3-24,31-32,34,41H,25-26H2,1-2H3,(H,39,40,44,45);5-19,22-23,27-29,41H,20-21H2,1-4H3,(H2,38,39,40,44,45);5-19,22-23,27-29,40H,20-21H2,1-4H3,(H,38,39,44);5-19,22-24,28-30,32,40H,20-21H2,1-4H3,(H,36,37);6-19,21,29-31,36H,2,20,22H2,1,3-5H3,(H,35,39);4-18,20,26-28,34H,19,21H2,1-3H3,(H,33,37,38).
What are the key properties of 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide?
1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide has a molecular weight of 5465.23 g/mol, XLogP of 48.52, 94 rotatable bonds, 18 hydrogen bond donors, and 67 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-5-methyl-2-methylidenepyrimidin-4-one;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-[[(4-methoxyphenyl)-diphenylmethyl]amino]oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]benzamide;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-3,6-dihydropurin-6-yl]-N,N-dimethylmethanimidamide;1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-5-methylpyrimidine-2,4-dione;N'-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-N,N-dimethylmethanimidamide;N-[9-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide;N-[1-[5-[[chloro(dimethylamino)phosphoryl]oxymethyl]-4-(tritylamino)oxolan-2-yl]-2-oxopyrimidin-4-yl]benzamide is sourced from PubChem (CID 157350018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).