5-bromanyl-N-(2,4-dimethylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(2,4-dimethylphenyl)-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(2,4-dimethylphenyl)-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3OS/c1-13-8-9-17(14(2)10-13)23-19(25)18-16(21)11-22-20(24-18)26-12-15-6-4-3-5-7-15/h3-11H,12H2,1-2H3,(H,23,25)