(phenylmethyl) 6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl 6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-propyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-propyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C15H18N2O2S MolecularWeight: 290.38062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC1=C(CNC(=S)N1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C15H18N2O2S/c1-2-6-13-12(9-16-15(20)17-13)14(18)19-10-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10H2,1H3,(H2,16,17,20)