4-(5-bromanyl-2-oxidanyl-phenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide

Systemtic Name: 4-(5-bromanyl-2-oxidanyl-phenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Openeye Name: 4-(5-bromo-2-hydroxy-phenyl)-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide CAS Name: 4-(5-bromo-2-hydroxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide IUPAC Name: 4-(5-bromo-2-hydroxyphenyl)-6-methyl-N-(3-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxamide Traditional Name: 4-(5-bromo-2-hydroxy-phenyl)-6-methyl-N-(m-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxamide Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=CC(=C3)Br)O)C

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)C2=C(NC(=S)NC2C3=C(C=CC(=C3)Br)O)C

InChI

InChI=1S/C19H18BrN3O2S/c1-10-4-3-5-13(8-10)22-18(25)16-11(2)21-19(26)23-17(16)14-9-12(20)6-7-15(14)24/h3-9,17,24H,1-2H3,(H,22,25)(H2,21,23,26)