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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=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

CCN1C(=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/C19H17N5O8S/c1-2-23-18(26)15(16(20)22-19(23)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,2,20H2,1H3,(H,21,25)(H,22,27)