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

Systemtic Name: 4-[[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]amino]methyl]benzenesulfonamide Openeye Name: 4-[[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]methyl]benzenesulfonamide CAS Name: 4-[[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]methyl]benzenesulfonamide IUPAC Name: 4-[[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)amino]methyl]benzenesulfonamide Traditional Name: 4-[[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)amino]methyl]benzenesulfonamide Formula: C14H16N6O4S MolecularWeight: 364.37964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)NCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C14H16N6O4S/c1-19-11-10(12(21)20(2)14(19)22)17-13(18-11)16-7-8-3-5-9(6-4-8)25(15,23)24/h3-6H,7H2,1-2H3,(H2,15,23,24)(H2,16,17,18)