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

Systemtic Name: ethyl (6R)-6-(3-bromanyl-4-fluoranyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6R)-6-(3-bromo-4-fluoro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-bromo-4-fluorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6R)-6-(3-bromo-4-fluorophenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-bromo-4-fluoro-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C15H16BrFN2O2S MolecularWeight: 387.267143

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC(=C(C=C2)F)Br)C)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@@H]1C2=CC(=C(C=C2)F)Br)C)C

InChI

InChI=1S/C15H16BrFN2O2S/c1-4-21-14(20)12-8(2)19(3)15(22)18-13(12)9-5-6-11(17)10(16)7-9/h5-7,13H,4H2,1-3H3,(H,18,22)/t13-/m1/s1