(4-nitrophenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenesulfonate

Systemtic Name: (4-nitrophenyl) 4-[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]benzenesulfonate Openeye Name: (4-nitrophenyl) 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonate CAS Name: 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)benzenesulfonate Traditional Name: 4-(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)benzenesulfonic acid (4-nitrophenyl) ester Formula: C19H15N5O7S MolecularWeight: 457.4167

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O7S/c1-22-17-15(18(25)23(2)19(22)26)20-16(21-17)11-3-9-14(10-4-11)32(29,30)31-13-7-5-12(6-8-13)24(27)28/h3-10H,1-2H3,(H,20,21)