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

Systemtic Name: N-butyl-4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenesulfonamide Openeye Name: N-butyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide CAS Name: N-butyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide IUPAC Name: N-butyl-4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonamide Traditional Name: N-butyl-4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzenesulfonamide Formula: C17H21N5O4S MolecularWeight: 391.44474

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCCCNS(=O)(=O)C1=CC=C(C=C1)C2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C17H21N5O4S/c1-4-5-10-18-27(25,26)12-8-6-11(7-9-12)14-19-13-15(20-14)21(2)17(24)22(3)16(13)23/h6-9,18H,4-5,10H2,1-3H3,(H,19,20)