5-bromanyl-N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylthio]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-N-(2,4-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-N-(2,4-dimethylphenyl)-2-[(4-fluorobenzyl)thio]pyrimidine-4-carboxamide Formula: C20H17BrFN3OS MolecularWeight: 446.335883

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrFN3OS/c1-12-3-8-17(13(2)9-12)24-19(26)18-16(21)10-23-20(25-18)27-11-14-4-6-15(22)7-5-14/h3-10H,11H2,1-2H3,(H,24,26)