methyl 3-methyl-6-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-methyl-6-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-methyl-6-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-6-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-6-phenyl-4-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-methyl-6-phenyl-4-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H20N2O2S MolecularWeight: 304.4072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCCC1=C(C(NC(=S)N1C)C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C16H20N2O2S/c1-4-8-12-13(15(19)20-3)14(17-16(21)18(12)2)11-9-6-5-7-10-11/h5-7,9-10,14H,4,8H2,1-3H3,(H,17,21)