ethyl (4R)-4-methyl-6-[(2-methylphenyl)methylsulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-methyl-6-[(2-methylphenyl)methylsulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-methyl-6-(o-tolylmethylsulfanylmethyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-methyl-6-[[(2-methylphenyl)methylthio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-methyl-6-[(2-methylphenyl)methylsulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-2-keto-4-methyl-6-[[(2-methylbenzyl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSCC2=CC=CC=C2C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C)CSCC2=CC=CC=C2C

InChI

InChI=1S/C17H22N2O3S/c1-4-22-16(20)15-12(3)18-17(21)19-14(15)10-23-9-13-8-6-5-7-11(13)2/h5-8,12H,4,9-10H2,1-3H3,(H2,18,19,21)/t12-/m1/s1