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

Systemtic Name: (3-nitrophenyl) 4-[2,6-bis(oxidanylidene)-1-propyl-3,7-dihydropurin-8-yl]benzenesulfonate Openeye Name: (3-nitrophenyl) 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonate CAS Name: 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(2,6-dioxo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonate Traditional Name: 4-(2,6-diketo-1-propyl-3,7-dihydropurin-8-yl)benzenesulfonic acid (3-nitrophenyl) ester Formula: C20H17N5O7S MolecularWeight: 471.44328

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=C(NC1=O)N=C(N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H17N5O7S/c1-2-10-24-19(26)16-18(23-20(24)27)22-17(21-16)12-6-8-15(9-7-12)33(30,31)32-14-5-3-4-13(11-14)25(28)29/h3-9,11H,2,10H2,1H3,(H,21,22)(H,23,27)