methyl 6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl 6-methyl-4-(4-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-methyl-4-pyridin-4-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-(4-pyridyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C12H13N3O2S MolecularWeight: 263.31552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC=NC=C2)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC=NC=C2)C(=O)OC

InChI

InChI=1S/C12H13N3O2S/c1-7-9(11(16)17-2)10(15-12(18)14-7)8-3-5-13-6-4-8/h3-6,10H,1-2H3,(H2,14,15,18)