[3-(trifluoromethylsulfanyl)phenyl]methyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 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 [3-(trifluoromethylthio)phenyl]methyl ester IUPAC Name: [3-(trifluoromethylsulfanyl)phenyl]methyl 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 [3-(trifluoromethylthio)benzyl] ester Formula: C15H15F3N2O3S2 MolecularWeight: 392.41641

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)CO)C(=O)OCC2=CC(=CC=C2)SC(F)(F)F

Isomeric SMILES

CC1=C(C(NC(=S)N1)CO)C(=O)OCC2=CC(=CC=C2)SC(F)(F)F

InChI

InChI=1S/C15H15F3N2O3S2/c1-8-12(11(6-21)20-14(24)19-8)13(22)23-7-9-3-2-4-10(5-9)25-15(16,17)18/h2-5,11,21H,6-7H2,1H3,(H2,19,20,24)