methyl 2-heptyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 2-heptyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 2-heptyl-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylate CAS Name: 2-heptyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 2-heptyl-6-methyl-4-sulfanylidene-1H-pyrimidine-5-carboxylate Traditional Name: 2-heptyl-6-methyl-4-thioxo-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C14H22N2O2S MolecularWeight: 282.40168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC(=S)C(=C(N1)C)C(=O)OC

Isomeric SMILES

CCCCCCCC1=NC(=S)C(=C(N1)C)C(=O)OC

InChI

InChI=1S/C14H22N2O2S/c1-4-5-6-7-8-9-11-15-10(2)12(13(19)16-11)14(17)18-3/h4-9H2,1-3H3,(H,15,16,19)