methyl (4R)-4-(3-bromanyl-4-fluoranyl-phenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(3-bromanyl-4-fluoranyl-phenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(3-bromo-4-fluoro-phenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-bromo-4-fluorophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3-bromo-4-fluorophenyl)-6-propan-2-yl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(3-bromo-4-fluoro-phenyl)-6-isopropyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H16BrFN2O2S MolecularWeight: 387.267143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(NC(=S)N1)C2=CC(=C(C=C2)F)Br)C(=O)OC

Isomeric SMILES

CC(C)C1=C([C@H](NC(=S)N1)C2=CC(=C(C=C2)F)Br)C(=O)OC

InChI

InChI=1S/C15H16BrFN2O2S/c1-7(2)12-11(14(20)21-3)13(19-15(22)18-12)8-4-5-10(17)9(16)6-8/h4-7,13H,1-3H3,(H2,18,19,22)/t13-/m1/s1