8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane

C105H135BrCl5N23O18Sn — CID 172916792

IUPAC8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1c(=O)n(CC2Cc3c(Cl)cccc3N2C(=O)OC(C)(C)C)c(=O)c2c1nc(Br)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3[nH]2)c(=O)c2c1nc(C(C)N)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(/C(C)=N\O)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(C(C)=O)n2C.ONCl
InChIInChI=1S/C24H27ClN6O5.C24H26ClN5O5.C22H25BrClN5O4.C19H21ClN6O2.C4H7O.3C4H9.ClH2NO.Sn/c1-7-29-20-18(28(6)19(26-20)13(2)27-35)21(32)30(22(29)33)12-14-11-15-16(25)9-8-10-17(15)31(14)23(34)36-24(3,4)5;1-7-28-20-18(27(6)19(26-20)13(2)31)21(32)29(22(28)33)12-14-11-15-16(25)9-8-10-17(15)30(14)23(34)35-24(3,4)5;1-6-27-17-16(26(5)19(23)25-17)18(30)28(20(27)31)11-12-10-13-14(24)8-7-9-15(13)29(12)21(32)33-22(2,3)4;1-4-25-17-15(24(3)16(23-17)10(2)21)18(27)26(19(25)28)9-11-8-12-13(20)6-5-7-14(12)22-11;1-3-5-4-2;3*1-3-4-2;1-2-3;/h8-11,35H,7,12H2,1-6H3;8-11H,7,12H2,1-6H3;7-9,12H,6,10-11H2,1-5H3;5-8,10,22H,4,9,21H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;2-3H;/b27-13-;;;;;;;;;
InChIKeyNOHNTQNUIMLJDX-OOTXPSFHSA-N
MW2383.26 g/mol
LogP18.98
Rot. Bonds27

About 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane

8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane (PubChem CID 172916792) has the molecular formula C105H135BrCl5N23O18Sn and a molecular weight of 2383.26 g/mol. Its IUPAC name is 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane.

Molecular Properties

Compound Name8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane
PubChem CID172916792
Molecular FormulaC105H135BrCl5N23O18Sn
Molecular Weight2383.26 g/mol
Exact Mass2379.70
IUPAC Name8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane
SMILESC=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1c(=O)n(CC2Cc3c(Cl)cccc3N2C(=O)OC(C)(C)C)c(=O)c2c1nc(Br)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3[nH]2)c(=O)c2c1nc(C(C)N)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(/C(C)=N\O)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(C(C)=O)n2C.ONCl
InChIInChI=1S/C24H27ClN6O5.C24H26ClN5O5.C22H25BrClN5O4.C19H21ClN6O2.C4H7O.3C4H9.ClH2NO.Sn/c1-7-29-20-18(28(6)19(26-20)13(2)27-35)21(32)30(22(29)33)12-14-11-15-16(25)9-8-10-17(15)31(14)23(34)36-24(3,4)5;1-7-28-20-18(27(6)19(26-20)13(2)31)21(32)29(22(28)33)12-14-11-15-16(25)9-8-10-17(15)30(14)23(34)35-24(3,4)5;1-6-27-17-16(26(5)19(23)25-17)18(30)28(20(27)31)11-12-10-13-14(24)8-7-9-15(13)29(12)21(32)33-22(2,3)4;1-4-25-17-15(24(3)16(23-17)10(2)21)18(27)26(19(25)28)9-11-8-12-13(20)6-5-7-14(12)22-11;1-3-5-4-2;3*1-3-4-2;1-2-3;/h8-11,35H,7,12H2,1-6H3;8-11H,7,12H2,1-6H3;7-9,12H,6,10-11H2,1-5H3;5-8,10,22H,4,9,21H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;2-3H;/b27-13-;;;;;;;;;
InChIKeyNOHNTQNUIMLJDX-OOTXPSFHSA-N
XLogP18.98
TPSA472.24 Ų
H-Bond Donors5
H-Bond Acceptors39
Rotatable Bonds27
Heavy Atoms153
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002383.26
LogP ≤ 518.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1039

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}

Analyze 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane with MolForge

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Launch Full Analysis

Related Compounds

8-bromo-1-[(5-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;methyl 2-[1-[(5-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]acetate
CID 145335860
8-(aminomethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-[(8-cyano-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]indole-1-carboxylate
CID 157168598
8-(1-amino-2-hydroxyethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-phenylmethoxyethyl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 4-chloro-2-[[8-[2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-3,7-dimethyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;ethyl acetate
CID 157464482
tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3,7-dimethyl-2,6-dioxo-8-[[3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]amino]purin-1-yl]methyl]indole-1-carboxylate;1-[(4-chloro-1H-indol-2-yl)methyl]-8-(1H-imidazol-5-ylamino)-3,7-dimethylpurine-2,6-dione;1-(2-trimethylsilylethoxymethyl)imidazol-2-amine
CID 157551550
tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonyl]-2,5-dihydropyrrol-3-yl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,5-dihydropyrrole-1-carboxylate;1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-8-pyrrolidin-3-ylpurine-2,6-dione
CID 157584817
dicesium;tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-5-yl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 4-chloro-2-[[3,7-dimethyl-8-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;tert-butyl 3-[1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]piperidine-1-carboxylate;tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-8-piperidin-3-ylpurine-2,6-dione;hydride;methanol;oxido formate
CID 157711880
tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;3-[4-[[1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]amino]-6-methylpyrimidin-2-yl]propanamide;2-chloro-6-methylpyrimidin-4-amine;2-iodo-6-methylpyrimidin-4-amine;bis(methyl 3-(4-amino-6-methylpyrimidin-2-yl)propanoate);methyl 3-[4-[[1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]amino]-6-methylpyrimidin-2-yl]propanoate;hydroiodide
CID 157813772
lithium;3-[[7-(2-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-methyl-2,6-dioxopurin-8-yl]amino]cyclohexane-1-carboxylic acid;8-bromo-3-methyl-7H-purine-2,6-dione;tert-butyl 2-[[7-(2-aminoethyl)-8-[(3-ethoxycarbonylcyclohexyl)amino]-3-methyl-2,6-dioxopurin-1-yl]methyl]-4-chloroindole-1-carboxylate;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-[2-(8-bromo-3-methyl-2,6-dioxopurin-7-yl)ethyl]carbamate;tert-butyl 2-[[8-bromo-3-methyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dioxopurin-1-yl]methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-(chloromethyl)indole-1-carboxylate;tert-butyl 4-chloro-2-[[8-[(3-ethoxycarbonylcyclohexyl)amino]-3-methyl-7-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;ethyl 3-aminocyclohexane-1-carboxylate;dihydroxide
CID 157821390
tert-butyl 6-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;1-[(4-chloro-1H-indol-6-yl)methyl]-3,7-dimethyl-8-(pyridin-4-ylamino)purine-2,6-dione
CID 158055640
8-[[(1S,2R)-2-aminocyclopentyl]amino]-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;8-bromo-1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethylpurine-2,6-dione;bis(tert-butyl N-[(1R,2S)-2-aminocyclopentyl]carbamate);tert-butyl N-[(1R,2S)-2-azidocyclopentyl]carbamate;tert-butyl N-[(1R,2S)-2-[[1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]amino]cyclopentyl]carbamate;tert-butyl N-[(1R,2R)-2-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,2R)-2-methylcyclopentyl]carbamate;methanol
CID 158199711
tert-butyl 2-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-2-[[8-[cyano(pyridin-4-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;2-[1-[(4-chloro-1H-indol-2-yl)methyl]-3,7-dimethyl-2,6-dioxopurin-8-yl]-2-pyridin-4-ylacetamide;2-pyridin-4-ylacetonitrile;sulfuric acid
CID 158456153
8-bromo-1-[(4-chloro-1H-indol-6-yl)methyl]-3,7-dimethylpurine-2,6-dione;8-bromo-1-[(4-chloro-1-methylindol-6-yl)methyl]-3,7-dimethylpurine-2,6-dione;8-bromo-3,7-dimethylpurine-2,6-dione;tert-butyl 6-[(8-bromo-3,7-dimethyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 4-chloro-5-(chloromethyl)indole-1-carboxylate;1-[(4-chloro-1-methylindol-6-yl)methyl]-3,7-dimethyl-8-(pyridin-4-ylamino)purine-2,6-dione;deuterio(fluoro)methane
CID 158776663

Frequently Asked Questions

What is the IUPAC name of 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane?
The IUPAC name of 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane (CID 172916792) is 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane.
What is the SMILES notation for 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane?
The canonical SMILES for 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane is C=C(OCC)[Sn](CCCC)(CCCC)CCCC.CCn1c(=O)n(CC2Cc3c(Cl)cccc3N2C(=O)OC(C)(C)C)c(=O)c2c1nc(Br)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3[nH]2)c(=O)c2c1nc(C(C)N)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(/C(C)=N\O)n2C.CCn1c(=O)n(Cc2cc3c(Cl)cccc3n2C(=O)OC(C)(C)C)c(=O)c2c1nc(C(C)=O)n2C.ONCl.
What is the InChIKey of 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane?
The InChIKey is NOHNTQNUIMLJDX-OOTXPSFHSA-N. The full InChI is InChI=1S/C24H27ClN6O5.C24H26ClN5O5.C22H25BrClN5O4.C19H21ClN6O2.C4H7O.3C4H9.ClH2NO.Sn/c1-7-29-20-18(28(6)19(26-20)13(2)27-35)21(32)30(22(29)33)12-14-11-15-16(25)9-8-10-17(15)31(14)23(34)36-24(3,4)5;1-7-28-20-18(27(6)19(26-20)13(2)31)21(32)29(22(28)33)12-14-11-15-16(25)9-8-10-17(15)30(14)23(34)35-24(3,4)5;1-6-27-17-16(26(5)19(23)25-17)18(30)28(20(27)31)11-12-10-13-14(24)8-7-9-15(13)29(12)21(32)33-22(2,3)4;1-4-25-17-15(24(3)16(23-17)10(2)21)18(27)26(19(25)28)9-11-8-12-13(20)6-5-7-14(12)22-11;1-3-5-4-2;3*1-3-4-2;1-2-3;/h8-11,35H,7,12H2,1-6H3;8-11H,7,12H2,1-6H3;7-9,12H,6,10-11H2,1-5H3;5-8,10,22H,4,9,21H2,1-3H3;1,4H2,2H3;3*1,3-4H2,2H3;2-3H;/b27-13-;;;;;;;;;.
What are the key properties of 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane?
8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane has a molecular weight of 2383.26 g/mol, XLogP of 18.98, 27 rotatable bonds, 5 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-aminoethyl)-1-[(4-chloro-1H-indol-2-yl)methyl]-3-ethyl-7-methylpurine-2,6-dione;tert-butyl 2-[(8-acetyl-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloroindole-1-carboxylate;tert-butyl 2-[(8-bromo-3-ethyl-7-methyl-2,6-dioxopurin-1-yl)methyl]-4-chloro-2,3-dihydroindole-1-carboxylate;tert-butyl 4-chloro-2-[[3-ethyl-8-[(Z)-N-hydroxy-C-methylcarbonimidoyl]-7-methyl-2,6-dioxopurin-1-yl]methyl]indole-1-carboxylate;N-chlorohydroxylamine;tributyl(1-ethoxyethenyl)stannane is sourced from PubChem (CID 172916792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).