(3-nitrophenyl) 4-[[6-azanyl-2,4-bis(oxidanylidene)-3-propyl-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonate

Systemtic Name: (3-nitrophenyl) 4-[[6-azanyl-2,4-bis(oxidanylidene)-3-propyl-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonate Openeye Name: (3-nitrophenyl) 4-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate CAS Name: 4-[[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid (3-nitrophenyl) ester IUPAC Name: (3-nitrophenyl) 4-[(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate Traditional Name: 4-[(6-amino-2,4-diketo-3-propyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid (3-nitrophenyl) ester Formula: C20H19N5O8S MolecularWeight: 489.45856

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O8S/c1-2-10-24-19(27)16(17(21)23-20(24)28)22-18(26)12-6-8-15(9-7-12)34(31,32)33-14-5-3-4-13(11-14)25(29)30/h3-9,11H,2,10,21H2,1H3,(H,22,26)(H,23,28)