N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-[(phenylmethyl)sulfamoyl]benzamide

Systemtic Name: N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-[(phenylmethyl)sulfamoyl]benzamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(benzylsulfamoyl)benzamide CAS Name: N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]-3-[(phenylmethyl)sulfamoyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(benzylsulfamoyl)benzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-3-(benzylsulfamoyl)benzamide Formula: C33H36N8O3S MolecularWeight: 624.75574

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)NCC6=CC=CC=C6

Isomeric SMILES

C1CCN(C1)CCCNC2=NC(=NC3=C2N=CN3CC4=CC=CC=C4)NC(=O)C5=CC(=CC=C5)S(=O)(=O)NCC6=CC=CC=C6

InChI

InChI=1S/C33H36N8O3S/c42-32(27-15-9-16-28(21-27)45(43,44)36-22-25-11-3-1-4-12-25)39-33-37-30(34-17-10-20-40-18-7-8-19-40)29-31(38-33)41(24-35-29)23-26-13-5-2-6-14-26/h1-6,9,11-16,21,24,36H,7-8,10,17-20,22-23H2,(H2,34,37,38,39,42)