2-(4-methoxy-3-methyl-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(4-methoxy-3-methyl-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(4-methoxy-3-methyl-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(4-methoxy-3-methylphenyl)ethyl ester IUPAC Name: 2-(4-methoxy-3-methylphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(4-methoxy-3-methyl-phenyl)ethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)OC

Isomeric SMILES

CC1=C(C=CC(=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)OC

InChI

InChI=1S/C17H22N2O4S/c1-10-8-12(4-5-14(10)22-3)6-7-23-16(21)15-11(2)18-17(24)19-13(15)9-20/h4-5,8,13,20H,6-7,9H2,1-3H3,(H2,18,19,24)