(4-nitrophenyl) 4-[1-ethyl-2,6-bis(oxidanylidene)-3,7-dihydropurin-8-yl]benzenesulfonate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H15N5O7S/c1-2-23-18(25)15-17(22-19(23)26)21-16(20-15)11-3-9-14(10-4-11)32(29,30)31-13-7-5-12(6-8-13)24(27)28/h3-10H,2H2,1H3,(H,20,21)(H,22,26)