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

Systemtic Name: (3-nitrophenyl) 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenesulfonate Openeye Name: (3-nitrophenyl) 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonate CAS Name: 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonate Traditional Name: 4-(2,6-diketo-1,3-dipropyl-7H-purin-8-yl)benzenesulfonic acid (3-nitrophenyl) ester Formula: C23H23N5O7S MolecularWeight: 513.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)S(=O)(=O)OC4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O7S/c1-3-12-26-21-19(22(29)27(13-4-2)23(26)30)24-20(25-21)15-8-10-18(11-9-15)36(33,34)35-17-7-5-6-16(14-17)28(31)32/h5-11,14H,3-4,12-13H2,1-2H3,(H,24,25)