methyl 6-(4-nitrophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-(4-nitrophenyl)-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-benzylsulfanyl-6-(4-nitrophenyl)-4-oxo-1H-pyrimidine-5-carboxylate CAS Name: 6-(4-nitrophenyl)-4-oxo-2-(phenylmethylthio)-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-benzylsulfanyl-6-(4-nitrophenyl)-4-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 2-(benzylthio)-4-keto-6-(4-nitrophenyl)-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C19H15N3O5S MolecularWeight: 397.4045

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=NC1=O)SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=C(NC(=NC1=O)SCC2=CC=CC=C2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O5S/c1-27-18(24)15-16(13-7-9-14(10-8-13)22(25)26)20-19(21-17(15)23)28-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,21,23)