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

Systemtic Name: (4-nitrophenyl) 4-[2,6-bis(oxidanylidene)-1,3-dipropyl-7H-purin-8-yl]benzenesulfonate Openeye Name: (4-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 (4-nitrophenyl) ester IUPAC Name: (4-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 (4-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=C(C=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=C(C=C4)[N+](=O)[O-]

InChI

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