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

Systemtic Name: 2-(3,5-dimethylphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)ethyl ester IUPAC Name: 2-(3,5-dimethylphenyl)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-(3,5-dimethylphenyl)ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-10-6-11(2)8-13(7-10)4-5-22-16(21)15-12(3)18-17(23)19-14(15)9-20/h6-8,14,20H,4-5,9H2,1-3H3,(H2,18,19,23)