methyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(3-bromanyl-4-fluoranyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(3-bromo-4-fluoro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-bromo-4-fluorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(3-bromo-4-fluorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-bromo-4-fluoro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C14H14BrFN2O2S MolecularWeight: 373.240563

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC(=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C)C2=CC(=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C14H14BrFN2O2S/c1-7-11(13(19)20-3)12(17-14(21)18(7)2)8-4-5-10(16)9(15)6-8/h4-6,12H,1-3H3,(H,17,21)/t12-/m0/s1