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

Systemtic Name: (4S)-4-(4-bromophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: (4S)-4-(4-bromophenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: (4S)-4-(4-bromophenyl)-6-methyl-N-(5-methyl-3-isoxazolyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: (4S)-4-(4-bromophenyl)-6-methyl-N-(5-methyl-1,2-oxazol-3-yl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: (4S)-4-(4-bromophenyl)-6-methyl-N-(5-methylisoxazol-3-yl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C16H15BrN4O2S MolecularWeight: 407.2849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15BrN4O2S/c1-8-7-12(21-23-8)19-15(22)13-9(2)18-16(24)20-14(13)10-3-5-11(17)6-4-10/h3-7,14H,1-2H3,(H2,18,20,24)(H,19,21,22)/t14-/m0/s1