4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

C147H160Cl8FN43O24S6 — CID 158554549

IUPAC4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
SMILESCN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.C[C@@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.C[C@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H31ClN8O4S.2C25H27Cl2N7O4S.C24H25ClFN7O4S.C24H26ClN7O4S.C23H24ClN7O4S/c1-34(2)25-32-23(28)22-24(33-25)35(17-30-22)13-3-4-14-39-26(36)29-15-18-7-11-21(12-8-18)40(37,38)31-16-19-5-9-20(27)10-6-19;2*1-16(18-6-8-19(26)9-7-18)33-39(36,37)20-10-4-17(5-11-20)14-29-25(35)38-13-3-2-12-34-15-30-21-22(28)31-24(27)32-23(21)34;25-23-31-21(27)20-22(32-23)33(15-29-20)11-1-2-12-37-24(34)28-13-16-5-9-19(10-6-16)38(35,36)30-14-17-3-7-18(26)8-4-17;25-23-30-21(26)20-22(31-23)32(16-28-20)11-4-5-12-36-24(33)27-14-18-9-6-10-19(13-18)37(34,35)29-15-17-7-2-1-3-8-17;24-22-28-20(25)19-21(29-22)31(15-27-19)12-4-5-13-35-23(32)26-14-16-8-10-17(11-9-16)30-36(33,34)18-6-2-1-3-7-18/h5-12,17,31H,3-4,13-16H2,1-2H3,(H,29,36)(H2,28,32,33);2*4-11,15-16,33H,2-3,12-14H2,1H3,(H,29,35)(H2,28,31,32);3-10,15,30H,1-2,11-14H2,(H,28,34)(H2,27,31,32);1-3,6-10,13,16,29H,4-5,11-12,14-15H2,(H,27,33)(H2,26,30,31);1-3,6-11,15,30H,4-5,12-14H2,(H,26,32)(H2,25,28,29)/t;2*16-;;;/m.10.../s1
InChIKeyHQCXBHHIYZMWBX-MPUJRRRASA-N
MW3408.20 g/mol
LogP22.44
Rot. Bonds66

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (PubChem CID 158554549) has the molecular formula C147H160Cl8FN43O24S6 and a molecular weight of 3408.20 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.

Molecular Properties

Compound Name4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
PubChem CID158554549
Molecular FormulaC147H160Cl8FN43O24S6
Molecular Weight3408.20 g/mol
Exact Mass3401.84
IUPAC Name4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
SMILESCN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.C[C@@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.C[C@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C26H31ClN8O4S.2C25H27Cl2N7O4S.C24H25ClFN7O4S.C24H26ClN7O4S.C23H24ClN7O4S/c1-34(2)25-32-23(28)22-24(33-25)35(17-30-22)13-3-4-14-39-26(36)29-15-18-7-11-21(12-8-18)40(37,38)31-16-19-5-9-20(27)10-6-19;2*1-16(18-6-8-19(26)9-7-18)33-39(36,37)20-10-4-17(5-11-20)14-29-25(35)38-13-3-2-12-34-15-30-21-22(28)31-24(27)32-23(21)34;25-23-31-21(27)20-22(32-23)33(15-29-20)11-1-2-12-37-24(34)28-13-16-5-9-19(10-6-16)38(35,36)30-14-17-3-7-18(26)8-4-17;25-23-30-21(26)20-22(31-23)32(16-28-20)11-4-5-12-36-24(33)27-14-18-9-6-10-19(13-18)37(34,35)29-15-17-7-2-1-3-8-17;24-22-28-20(25)19-21(29-22)31(15-27-19)12-4-5-13-35-23(32)26-14-16-8-10-17(11-9-16)30-36(33,34)18-6-2-1-3-7-18/h5-12,17,31H,3-4,13-16H2,1-2H3,(H,29,36)(H2,28,32,33);2*4-11,15-16,33H,2-3,12-14H2,1H3,(H,29,35)(H2,28,31,32);3-10,15,30H,1-2,11-14H2,(H,28,34)(H2,27,31,32);1-3,6-10,13,16,29H,4-5,11-12,14-15H2,(H,27,33)(H2,26,30,31);1-3,6-11,15,30H,4-5,12-14H2,(H,26,32)(H2,25,28,29)/t;2*16-;;;/m.10.../s1
InChIKeyHQCXBHHIYZMWBX-MPUJRRRASA-N
XLogP22.44
TPSA927.96 Ų
H-Bond Donors18
H-Bond Acceptors55
Rotatable Bonds66
Heavy Atoms229
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003408.20
LogP ≤ 522.44
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1055

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate with MolForge

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Related Compounds

4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(3-methylbutyl)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(3-methylbut-1-ynyl)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-[(Z)-prop-1-enyl]purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 157659122
1-(Benzenesulfonyl)-3-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-methylpiperidin-4-yl]-3-phenylurea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperidin-4-yl]-3-(4,4-difluorocyclohexyl)urea;1-[1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-4-(trifluoromethyl)piperidin-4-yl]-3-cyclohexylurea;1-[1-[8-(2-chlorophenyl)-9-(4-fluorophenyl)purin-6-yl]piperidin-4-yl]-3-(2-fluorophenyl)urea
CID 158016255
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[2-(4-fluorophenyl)ethylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[4-(trifluoromethyl)phenyl]methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 159104354
4-(6-amino-2-chloropurin-9-yl)butyl N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[3-(trifluoromethyl)phenyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chloro-2,4-difluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(3-chloro-2,6-difluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-chloro-2,6-difluorophenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methyl]carbamate;4-[6-amino-2-(methylamino)purin-9-yl]butyl N-[[2,6-dichloro-3-(trifluoromethyl)phenyl]methyl]carbamate
CID 161772520
1-(benzenesulfonyl)-4-chloro-5-isocyanopyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-isocyano-N-piperidin-4-ylpyrrolo[2,3-b]pyridin-4-amine;1-(benzenesulfonyl)-5-isocyano-N-[1-[3-(trifluoromethyl)phenyl]sulfonylpiperidin-4-yl]pyrrolo[2,3-b]pyridin-4-amine;tert-butyl 4-aminopiperidine-1-carboxylate;tert-butyl 4-[[1-(benzenesulfonyl)-5-isocyanopyrrolo[2,3-b]pyridin-4-yl]amino]piperidine-1-carboxylate;methane;3-(trifluoromethyl)benzenesulfonyl chloride;iodide;hydrochloride
CID 164961738
4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclohexylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-[4-(cyclopropylmethyl)piperazin-1-yl]sulfonylphenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(cyclopropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(methanesulfonamido)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-[[4-(2-methylpropylsulfonylamino)phenyl]methyl]carbamate;4-(2-chloro-6-methylpurin-9-yl)butyl N-(2-pyridin-4-ylethyl)carbamate
CID 157299016
N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]ethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-2-methoxyethanesulfonamide;N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]-N-methylethanesulfonamide;bis(N-[3-[(4-acetylpiperazin-1-yl)methyl]-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-6-yl]propane-2-sulfonamide)
CID 157572116
4-(6-aminopurin-9-yl)butyl N-benzylcarbamate;4-(6-aminopurin-9-yl)butyl N-[(1R)-1-(3-chlorophenyl)ethyl]carbamate;4-(6-aminopurin-9-yl)butyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate;4-(6-aminopurin-9-yl)butyl N-[(2-chlorophenyl)methyl]carbamate;4-(6-aminopurin-9-yl)butyl N-[(2,6-dichlorophenyl)methyl]carbamate;4-(6-aminopurin-9-yl)butyl N-[(2,6-difluorophenyl)methyl]carbamate;4-(6-aminopurin-9-yl)butyl N-[(2-fluorophenyl)methyl]carbamate;4-(2,6-diaminopurin-9-yl)butyl N-[(1R)-1-(4-chlorophenyl)ethyl]carbamate
CID 157694218
N-(benzenesulfonyl)-4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]piperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylpiperazine-1-sulfonamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-cyclohexylsulfonylpiperazine-1-carboxamide;4-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-phenylpiperazine-1-sulfonamide;1-[8-(2-chlorophenyl)-9-(4-chlorophenyl)purin-6-yl]-N-(phenylsulfamoyl)piperidin-4-amine
CID 158021393
bis(tert-butyl piperidine-1-carboxylate);6-chloro-8-(2-chlorophenyl)-9-(4-chlorophenyl)purine;pentakis(8-(2-chlorophenyl)-9-(4-chlorophenyl)-N-methylpurin-6-amine);methanamine;methylimino(oxo)methane;1-methylsulfonylpiperidine;oxolane;tris(piperidine)
CID 158243361
4-[6-amino-2-(cyclopentylmethoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(2-methylpropoxy)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylsulfanylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propan-2-yloxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-propoxypurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 159855476
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-bromophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-cyanophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-ethynylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-methylpurin-9-yl)butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 160280445

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?
The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate (CID 158554549) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate.
What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?
The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.C[C@@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.C[C@H](NS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1)c1ccc(Cl)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(NS(=O)(=O)c2ccccc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?
The InChIKey is HQCXBHHIYZMWBX-MPUJRRRASA-N. The full InChI is InChI=1S/C26H31ClN8O4S.2C25H27Cl2N7O4S.C24H25ClFN7O4S.C24H26ClN7O4S.C23H24ClN7O4S/c1-34(2)25-32-23(28)22-24(33-25)35(17-30-22)13-3-4-14-39-26(36)29-15-18-7-11-21(12-8-18)40(37,38)31-16-19-5-9-20(27)10-6-19;2*1-16(18-6-8-19(26)9-7-18)33-39(36,37)20-10-4-17(5-11-20)14-29-25(35)38-13-3-2-12-34-15-30-21-22(28)31-24(27)32-23(21)34;25-23-31-21(27)20-22(32-23)33(15-29-20)11-1-2-12-37-24(34)28-13-16-5-9-19(10-6-16)38(35,36)30-14-17-3-7-18(26)8-4-17;25-23-30-21(26)20-22(31-23)32(16-28-20)11-4-5-12-36-24(33)27-14-18-9-6-10-19(13-18)37(34,35)29-15-17-7-2-1-3-8-17;24-22-28-20(25)19-21(29-22)31(15-27-19)12-4-5-13-35-23(32)26-14-16-8-10-17(11-9-16)30-36(33,34)18-6-2-1-3-7-18/h5-12,17,31H,3-4,13-16H2,1-2H3,(H,29,36)(H2,28,32,33);2*4-11,15-16,33H,2-3,12-14H2,1H3,(H,29,35)(H2,28,31,32);3-10,15,30H,1-2,11-14H2,(H,28,34)(H2,27,31,32);1-3,6-10,13,16,29H,4-5,11-12,14-15H2,(H,27,33)(H2,26,30,31);1-3,6-11,15,30H,4-5,12-14H2,(H,26,32)(H2,25,28,29)/t;2*16-;;;/m.10.../s1.
What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate?
4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate has a molecular weight of 3408.20 g/mol, XLogP of 22.44, 66 rotatable bonds, 18 hydrogen bond donors, and 55 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(benzenesulfonamido)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(benzylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1S)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[[(1R)-1-(4-chlorophenyl)ethyl]sulfamoyl]phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-[(4-fluorophenyl)methylsulfamoyl]phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate is sourced from PubChem (CID 158554549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).