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

Systemtic Name: ethyl 4-methylsulfanyl-2-(4-nitrophenyl)-6-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C14H13N3O5S MolecularWeight: 335.33512

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O5S/c1-3-22-14(19)10-12(18)15-11(16-13(10)23-2)8-4-6-9(7-5-8)17(20)21/h4-7H,3H2,1-2H3,(H,15,16,18)