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

Systemtic Name: 4-[[3-butyl-2,6-bis(oxidanylidene)-1-(phenylmethyl)-7H-purin-8-yl]methyl]benzenesulfonamide Openeye Name: 4-[(1-benzyl-3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]benzenesulfonamide CAS Name: 4-[[3-butyl-2,6-dioxo-1-(phenylmethyl)-7H-purin-8-yl]methyl]benzenesulfonamide IUPAC Name: 4-[(1-benzyl-3-butyl-2,6-dioxo-7H-purin-8-yl)methyl]benzenesulfonamide Traditional Name: 4-[(1-benzyl-3-butyl-2,6-diketo-7H-purin-8-yl)methyl]benzenesulfonamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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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)S(=O)(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-2-3-13-27-21-20(22(29)28(23(27)30)15-17-7-5-4-6-8-17)25-19(26-21)14-16-9-11-18(12-10-16)33(24,31)32/h4-12H,2-3,13-15H2,1H3,(H,25,26)(H2,24,31,32)