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

Systemtic Name: (4-nitrophenyl) 4-[[6-azanyl-3-methyl-2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]carbamoyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 4-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate CAS Name: 4-[[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)amino]-oxomethyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(6-amino-3-methyl-2,4-dioxo-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonate Traditional Name: 4-[(6-amino-2,4-diketo-3-methyl-1H-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid (4-nitrophenyl) ester Formula: C18H15N5O8S MolecularWeight: 461.4054

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(=O)C(=C(NC1=O)N)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H15N5O8S/c1-22-17(25)14(15(19)21-18(22)26)20-16(24)10-2-8-13(9-3-10)32(29,30)31-12-6-4-11(5-7-12)23(27)28/h2-9H,19H2,1H3,(H,20,24)(H,21,26)