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

Systemtic Name: (4-nitrophenyl) 4-[[4-azanyl-1,3-dimethyl-2,6-bis(oxidanylidene)pyrimidin-5-yl]carbamoyl]benzenesulfonate Openeye Name: (4-nitrophenyl) 4-[(4-amino-1,3-dimethyl-2,6-dioxo-pyrimidin-5-yl)carbamoyl]benzenesulfonate CAS Name: 4-[[(4-amino-1,3-dimethyl-2,6-dioxo-5-pyrimidinyl)amino]-oxomethyl]benzenesulfonic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 4-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)carbamoyl]benzenesulfonate Traditional Name: 4-[(4-amino-2,6-diketo-1,3-dimethyl-pyrimidin-5-yl)carbamoyl]benzenesulfonic acid (4-nitrophenyl) ester Formula: C19H17N5O8S MolecularWeight: 475.43198

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

CN1C(=C(C(=O)N(C1=O)C)NC(=O)C2=CC=C(C=C2)S(=O)(=O)OC3=CC=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C19H17N5O8S/c1-22-16(20)15(18(26)23(2)19(22)27)21-17(25)11-3-9-14(10-4-11)33(30,31)32-13-7-5-12(6-8-13)24(28)29/h3-10H,20H2,1-2H3,(H,21,25)