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

Systemtic Name: 3-(diethylsulfamoyl)-N-[9-(phenylmethyl)-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]benzamide Openeye Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(diethylsulfamoyl)benzamide CAS Name: 3-(diethylsulfamoyl)-N-[9-(phenylmethyl)-6-[3-(1-pyrrolidinyl)propylamino]-2-purinyl]benzamide IUPAC Name: N-[9-benzyl-6-(3-pyrrolidin-1-ylpropylamino)purin-2-yl]-3-(diethylsulfamoyl)benzamide Traditional Name: N-[9-benzyl-6-(3-pyrrolidinopropylamino)purin-2-yl]-3-(diethylsulfamoyl)benzamide Formula: C30H38N8O3S MolecularWeight: 590.73952

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(C(=N2)NCCCN4CCCC4)N=CN3CC5=CC=CC=C5

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)NC2=NC3=C(C(=N2)NCCCN4CCCC4)N=CN3CC5=CC=CC=C5

InChI

InChI=1S/C30H38N8O3S/c1-3-38(4-2)42(40,41)25-15-10-14-24(20-25)29(39)35-30-33-27(31-16-11-19-36-17-8-9-18-36)26-28(34-30)37(22-32-26)21-23-12-6-5-7-13-23/h5-7,10,12-15,20,22H,3-4,8-9,11,16-19,21H2,1-2H3,(H2,31,33,34,35,39)