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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)C2=NC(=NC=C2Br)SCC3=CC=C(C=C3)F

InChI

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