4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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

C132H158Cl4N36O20S5 — CID 163821370

IUPAC4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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
SMILESC/C=C\c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)C#Cc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)CCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CCCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CNS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)cc1
InChIInChI=1S/C29H36ClN7O4S.C29H32ClN7O4S.C27H32ClN7O4S.C27H30ClN7O4S.C20H28N8O4S/c2*1-20(2)5-14-25-35-27(31)26-28(36-25)37(19-33-26)15-3-4-16-41-29(38)32-17-21-8-12-24(13-9-21)42(39,40)34-18-22-6-10-23(30)11-7-22;2*1-2-5-23-33-25(29)24-26(34-23)35(18-31-24)14-3-4-15-39-27(36)30-16-19-8-12-22(13-9-19)40(37,38)32-17-20-6-10-21(28)11-7-20;1-22-33(30,31)15-8-6-14(7-9-15)12-23-20(29)32-11-5-4-10-28-13-24-16-17(21)25-19(27(2)3)26-18(16)28/h6-13,19-20,34H,3-5,14-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,19-20,34H,3-4,15-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,18,32H,2-5,14-17H2,1H3,(H,30,36)(H2,29,33,34);2,5-13,18,32H,3-4,14-17H2,1H3,(H,30,36)(H2,29,33,34);6-9,13,22H,4-5,10-12H2,1-3H3,(H,23,29)(H2,21,25,26)/b;;;5-2-;
InChIKeyNVRRCXIFDGOXIV-RQCHKOLZSA-N
MW2871.09 g/mol
LogP18.66
Rot. Bonds60

About 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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

4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 (PubChem CID 163821370) has the molecular formula C132H158Cl4N36O20S5 and a molecular weight of 2871.09 g/mol. Its IUPAC name is 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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.

Molecular Properties

Compound Name4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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
PubChem CID163821370
Molecular FormulaC132H158Cl4N36O20S5
Molecular Weight2871.09 g/mol
Exact Mass2866.98
IUPAC Name4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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
SMILESC/C=C\c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)C#Cc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)CCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CCCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CNS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)cc1
InChIInChI=1S/C29H36ClN7O4S.C29H32ClN7O4S.C27H32ClN7O4S.C27H30ClN7O4S.C20H28N8O4S/c2*1-20(2)5-14-25-35-27(31)26-28(36-25)37(19-33-26)15-3-4-16-41-29(38)32-17-21-8-12-24(13-9-21)42(39,40)34-18-22-6-10-23(30)11-7-22;2*1-2-5-23-33-25(29)24-26(34-23)35(18-31-24)14-3-4-15-39-27(36)30-16-19-8-12-22(13-9-19)40(37,38)32-17-20-6-10-21(28)11-7-20;1-22-33(30,31)15-8-6-14(7-9-15)12-23-20(29)32-11-5-4-10-28-13-24-16-17(21)25-19(27(2)3)26-18(16)28/h6-13,19-20,34H,3-5,14-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,19-20,34H,3-4,15-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,18,32H,2-5,14-17H2,1H3,(H,30,36)(H2,29,33,34);2,5-13,18,32H,3-4,14-17H2,1H3,(H,30,36)(H2,29,33,34);6-9,13,22H,4-5,10-12H2,1-3H3,(H,23,29)(H2,21,25,26)/b;;;5-2-;
InChIKeyNVRRCXIFDGOXIV-RQCHKOLZSA-N
XLogP18.66
TPSA773.84 Ų
H-Bond Donors15
H-Bond Acceptors46
Rotatable Bonds60
Heavy Atoms197
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002871.09
LogP ≤ 518.66
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1046

Computed Properties (RDKit)

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

Analyze 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 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
4-[6-amino-2-(azetidin-1-yl)purin-9-yl]butyl N-[[3-(trifluoromethyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-methylprop-1-enyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[3-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(3-propylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate;4-(6-amino-2-fluoropurin-9-yl)butyl N-[[2-chloro-5-(2-methylpropyl)phenyl]methyl]carbamate
CID 157684364
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-(3-methylbut-1-ynyl)purin-9-yl]butyl N-[[4-[(4-chlorophenyl)methylsulfamoyl]phenyl]methyl]carbamate
CID 138586700
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-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
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-(dimethylamino)purin-9-yl]butyl N-[[4-(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?
The IUPAC name of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 163821370) is 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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.
What is the SMILES notation for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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?
The canonical SMILES for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 is C/C=C\c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)C#Cc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CC(C)CCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CCCc1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)NCc4ccc(Cl)cc4)cc3)c2n1.CNS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(N(C)C)nc32)cc1.
What is the InChIKey of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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?
The InChIKey is NVRRCXIFDGOXIV-RQCHKOLZSA-N. The full InChI is InChI=1S/C29H36ClN7O4S.C29H32ClN7O4S.C27H32ClN7O4S.C27H30ClN7O4S.C20H28N8O4S/c2*1-20(2)5-14-25-35-27(31)26-28(36-25)37(19-33-26)15-3-4-16-41-29(38)32-17-21-8-12-24(13-9-21)42(39,40)34-18-22-6-10-23(30)11-7-22;2*1-2-5-23-33-25(29)24-26(34-23)35(18-31-24)14-3-4-15-39-27(36)30-16-19-8-12-22(13-9-19)40(37,38)32-17-20-6-10-21(28)11-7-20;1-22-33(30,31)15-8-6-14(7-9-15)12-23-20(29)32-11-5-4-10-28-13-24-16-17(21)25-19(27(2)3)26-18(16)28/h6-13,19-20,34H,3-5,14-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,19-20,34H,3-4,15-18H2,1-2H3,(H,32,38)(H2,31,35,36);6-13,18,32H,2-5,14-17H2,1H3,(H,30,36)(H2,29,33,34);2,5-13,18,32H,3-4,14-17H2,1H3,(H,30,36)(H2,29,33,34);6-9,13,22H,4-5,10-12H2,1-3H3,(H,23,29)(H2,21,25,26)/b;;;5-2-;.
What are the key properties of 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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?
4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 has a molecular weight of 2871.09 g/mol, XLogP of 18.66, 60 rotatable bonds, 15 hydrogen bond donors, and 46 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(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 is sourced from PubChem (CID 163821370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).