methyl 4-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)thio]methyl]benzoic acid methyl ester Formula: C15H16N2O3S MolecularWeight: 304.36414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)OC)C

Isomeric SMILES

CC1=C(NC(=NC1=O)SCC2=CC=C(C=C2)C(=O)OC)C

InChI

InChI=1S/C15H16N2O3S/c1-9-10(2)16-15(17-13(9)18)21-8-11-4-6-12(7-5-11)14(19)20-3/h4-7H,8H2,1-3H3,(H,16,17,18)