5-bromanyl-N-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(4-methylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(p-tolyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(4-methylphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(4-methylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(p-tolyl)pyrimidine-4-carboxamide Formula: C19H16BrN3OS MolecularWeight: 414.31884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3

InChI

InChI=1S/C19H16BrN3OS/c1-13-7-9-15(10-8-13)22-18(24)17-16(20)11-21-19(23-17)25-12-14-5-3-2-4-6-14/h2-11H,12H2,1H3,(H,22,24)