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

Systemtic Name: 2-(4-ethyl-3-fluoranyl-phenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(4-ethyl-3-fluoro-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-ethyl-3-fluorophenyl)ethyl ester IUPAC Name: 2-(4-ethyl-3-fluorophenyl)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-ethyl-3-fluoro-phenyl)ethyl ester Formula: C17H21FN2O3S MolecularWeight: 352.423643

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)F

Isomeric SMILES

CCC1=C(C=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C)F

InChI

InChI=1S/C17H21FN2O3S/c1-3-12-5-4-11(8-13(12)18)6-7-23-16(22)15-10(2)19-17(24)20-14(15)9-21/h4-5,8,14,21H,3,6-7,9H2,1-2H3,(H2,19,20,24)