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

Systemtic Name: methyl (6R)-6-(3-bromanyl-4-fluoranyl-phenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6R)-6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6R)-6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6R)-6-(3-bromo-4-fluorophenyl)-3-cyclopropyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6R)-6-(3-bromo-4-fluoro-phenyl)-3-cyclopropyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C16H16BrFN2O2S MolecularWeight: 399.277843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1C2CC2)C3=CC(=C(C=C3)F)Br)C(=O)OC

InChI

InChI=1S/C16H16BrFN2O2S/c1-8-13(15(21)22-2)14(9-3-6-12(18)11(17)7-9)19-16(23)20(8)10-4-5-10/h3,6-7,10,14H,4-5H2,1-2H3,(H,19,23)/t14-/m1/s1