methyl 6-methylsulfonyl-4-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methylsulfonyl-4-oxidanylidene-2-phenyl-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methylsulfonyl-4-oxo-2-phenyl-1H-pyrimidine-5-carboxylate CAS Name: 6-methylsulfonyl-4-oxo-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methylsulfonyl-4-oxo-2-phenyl-1H-pyrimidine-5-carboxylate Traditional Name: 4-keto-6-mesyl-2-phenyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C13H12N2O5S MolecularWeight: 308.30978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(NC(=NC1=O)C2=CC=CC=C2)S(=O)(=O)C

Isomeric SMILES

COC(=O)C1=C(NC(=NC1=O)C2=CC=CC=C2)S(=O)(=O)C

InChI

InChI=1S/C13H12N2O5S/c1-20-13(17)9-11(16)14-10(8-6-4-3-5-7-8)15-12(9)21(2,18)19/h3-7H,1-2H3,(H,14,15,16)