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

Systemtic Name: 2-(3,4-dichlorophenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethyl ester IUPAC Name: 2-(3,4-dichlorophenyl)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-(3,4-dichlorophenyl)ethyl ester Formula: C15H16Cl2N2O3S MolecularWeight: 375.27014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCCC2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C15H16Cl2N2O3S/c1-8-13(12(7-20)19-15(23)18-8)14(21)22-5-4-9-2-3-10(16)11(17)6-9/h2-3,6,12,20H,4-5,7H2,1H3,(H2,18,19,23)