N-[4-[[3-butyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-8-yl]methyl]phenyl]methanesulfonamide

Systemtic Name: N-[4-[[3-butyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-8-yl]methyl]phenyl]methanesulfonamide Openeye Name: N-[4-[(1-benzyl-3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]methanesulfonamide CAS Name: N-[4-[[3-butyl-2,6-dioxo-1-(phenylmethyl)-7H-purin-8-yl]methyl]phenyl]methanesulfonamide IUPAC Name: N-[4-[(1-benzyl-3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]phenyl]methanesulfonamide Traditional Name: N-[4-[(1-benzyl-3-butyl-2,6-diketo-7H-purin-8-yl)methyl]phenyl]methanesulfonamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)NS(=O)(=O)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CC3=CC=CC=C3)NC(=N2)CC4=CC=C(C=C4)NS(=O)(=O)C

InChI

InChI=1S/C24H27N5O4S/c1-3-4-14-28-22-21(23(30)29(24(28)31)16-18-8-6-5-7-9-18)25-20(26-22)15-17-10-12-19(13-11-17)27-34(2,32)33/h5-13,27H,3-4,14-16H2,1-2H3,(H,25,26)