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

Systemtic Name: 2-(3-chloranyl-4-methyl-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3-chloro-4-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-(3-chloro-4-methylphenyl)ethyl ester IUPAC Name: 2-(3-chloro-4-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-(3-chloro-4-methyl-phenyl)ethyl ester Formula: C16H19ClN2O3S MolecularWeight: 354.85166

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN2O3S/c1-9-3-4-11(7-12(9)17)5-6-22-15(21)14-10(2)18-16(23)19-13(14)8-20/h3-4,7,13,20H,5-6,8H2,1-2H3,(H2,18,19,23)