4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate

C103H136Cl3N37O22S5 — CID 163689631

About 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate (PubChem CID 163689631) has the molecular formula C103H136Cl3N37O22S5 and a molecular weight of 2511.15 g/mol. Its IUPAC name is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate.

Molecular Properties

• Compound Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate
• PubChem CID: 163689631
• Molecular Formula: C103H136Cl3N37O22S5
• Molecular Weight: 2511.15 g/mol
• Exact Mass: 2507.83
• IUPAC Name: 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate
• SMILES: CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(C)(=O)=O)cc3)c2n1.CNS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1
• InChI: InChI=1S/C23H31ClN8O5S.C21H26ClN7O5S.C21H30N8O4S.C20H27N7O4S.C18H22ClN7O4S/c24-22-29-20(25)19-21(30-22)32(16-27-19)8-1-2-12-37-23(33)26-15-17-3-5-18(6-4-17)38(34,35)28-7-9-31-10-13-36-14-11-31;22-20-26-18(23)17-19(27-20)28(14-25-17)7-1-2-10-34-21(30)24-13-15-3-5-16(6-4-15)35(31,32)29-8-11-33-12-9-29;1-27(2)20-25-18(22)17-19(26-20)29(14-24-17)11-5-6-12-33-21(30)23-13-15-7-9-16(10-8-15)34(31,32)28(3)4;1-26(2)19-24-17(21)16-18(25-19)27(13-23-16)10-4-5-11-31-20(28)22-12-14-6-8-15(9-7-14)32(3,29)30;1-21-31(28,29)13-6-4-12(5-7-13)10-22-18(27)30-9-3-2-8-26-11-23-14-15(20)24-17(19)25-16(14)26/h3-6,16,28H,1-2,7-15H2,(H,26,33)(H2,25,29,30);3-6,14H,1-2,7-13H2,(H,24,30)(H2,23,26,27);7-10,14H,5-6,11-13H2,1-4H3,(H,23,30)(H2,22,25,26);6-9,13H,4-5,10-12H2,1-3H3,(H,22,28)(H2,21,24,25);4-7,11,21H,2-3,8-10H2,1H3,(H,22,27)(H2,20,24,25)
• InChIKey: JRVWSXKDCOEVNL-UHFFFAOYSA-N
• XLogP: 7.86
• TPSA: 769.17 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 50
• Rotatable Bonds: 49
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2511.15
LogP ≤ 5	7.86
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	50

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate?

The IUPAC name of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate (CID 163689631) is 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate.

What is the SMILES notation for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate?

The canonical SMILES for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate is CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(=O)(=O)N(C)C)cc3)c2n1.CN(C)c1nc(N)c2ncn(CCCCOC(=O)NCc3ccc(S(C)(=O)=O)cc3)c2n1.CNS(=O)(=O)c1ccc(CNC(=O)OCCCCn2cnc3c(N)nc(Cl)nc32)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.Nc1nc(Cl)nc2c1ncn2CCCCOC(=O)NCc1ccc(S(=O)(=O)NCCN2CCOCC2)cc1.

What is the InChIKey of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate?

The InChIKey is JRVWSXKDCOEVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31ClN8O5S.C21H26ClN7O5S.C21H30N8O4S.C20H27N7O4S.C18H22ClN7O4S/c24-22-29-20(25)19-21(30-22)32(16-27-19)8-1-2-12-37-23(33)26-15-17-3-5-18(6-4-17)38(34,35)28-7-9-31-10-13-36-14-11-31;22-20-26-18(23)17-19(27-20)28(14-25-17)7-1-2-10-34-21(30)24-13-15-3-5-16(6-4-15)35(31,32)29-8-11-33-12-9-29;1-27(2)20-25-18(22)17-19(26-20)29(14-24-17)11-5-6-12-33-21(30)23-13-15-7-9-16(10-8-15)34(31,32)28(3)4;1-26(2)19-24-17(21)16-18(25-19)27(13-23-16)10-4-5-11-31-20(28)22-12-14-6-8-15(9-7-14)32(3,29)30;1-21-31(28,29)13-6-4-12(5-7-13)10-22-18(27)30-9-3-2-8-26-11-23-14-15(20)24-17(19)25-16(14)26/h3-6,16,28H,1-2,7-15H2,(H,26,33)(H2,25,29,30);3-6,14H,1-2,7-13H2,(H,24,30)(H2,23,26,27);7-10,14H,5-6,11-13H2,1-4H3,(H,23,30)(H2,22,25,26);6-9,13H,4-5,10-12H2,1-3H3,(H,22,28)(H2,21,24,25);4-7,11,21H,2-3,8-10H2,1H3,(H,22,27)(H2,20,24,25).

What are the key properties of 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate?

4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate has a molecular weight of 2511.15 g/mol, XLogP of 7.86, 49 rotatable bonds, 12 hydrogen bond donors, and 50 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(methylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[[4-(2-morpholin-4-ylethylsulfamoyl)phenyl]methyl]carbamate;4-(6-amino-2-chloropurin-9-yl)butyl N-[(4-morpholin-4-ylsulfonylphenyl)methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[[4-(dimethylsulfamoyl)phenyl]methyl]carbamate;4-[6-amino-2-(dimethylamino)purin-9-yl]butyl N-[(4-methylsulfonylphenyl)methyl]carbamate is sourced from PubChem (CID 163689631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).