methyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(2-chloranyl-6-fluoranyl-phenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(2-chloro-6-fluoro-phenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(2-chloro-6-fluorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(2-chloro-6-fluorophenyl)-4-methyl-3-propyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(2-chloro-6-fluoro-phenyl)-4-methyl-3-propyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H18ClFN2O2S MolecularWeight: 356.842723

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

Isomeric SMILES

CCCN1C(=C(C(NC1=S)C2=C(C=CC=C2Cl)F)C(=O)OC)C

InChI

InChI=1S/C16H18ClFN2O2S/c1-4-8-20-9(2)12(15(21)22-3)14(19-16(20)23)13-10(17)6-5-7-11(13)18/h5-7,14H,4,8H2,1-3H3,(H,19,23)