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

Systemtic Name: methyl 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-(methylthio)-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 6-keto-4-(methylthio)-2-(4-nitrophenyl)-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H11N3O5S MolecularWeight: 321.30854

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N=C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC

Isomeric SMILES

COC(=O)C1=C(N=C(NC1=O)C2=CC=C(C=C2)[N+](=O)[O-])SC

InChI

InChI=1S/C13H11N3O5S/c1-21-13(18)9-11(17)14-10(15-12(9)22-2)7-3-5-8(6-4-7)16(19)20/h3-6H,1-2H3,(H,14,15,17)