(4S)-4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: (4S)-4-(3-bromanyl-4-fluoranyl-phenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(3-bromo-4-fluoro-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(3-bromo-4-fluorophenyl)-6-methyl-N-(5-methyl-3-isoxazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(3-bromo-4-fluorophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(3-bromo-4-fluoro-phenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C16H14BrFN4O2S MolecularWeight: 425.275363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)NC2C3=CC(=C(C=C3)F)Br)C

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C2=C(NC(=S)N[C@H]2C3=CC(=C(C=C3)F)Br)C

InChI

InChI=1S/C16H14BrFN4O2S/c1-7-5-12(22-24-7)20-15(23)13-8(2)19-16(25)21-14(13)9-3-4-11(18)10(17)6-9/h3-6,14H,1-2H3,(H2,19,21,25)(H,20,22,23)/t14-/m0/s1