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

Systemtic Name: 5-bromanyl-2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(2-fluorophenyl)methylthio]-N-[(4-methoxyphenyl)methyl]-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(2-fluorophenyl)methylsulfanyl]-N-[(4-methoxyphenyl)methyl]pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(2-fluorobenzyl)thio]-N-p-anisyl-pyrimidine-4-carboxamide Formula: C20H17BrFN3O2S MolecularWeight: 462.335283

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3F

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=NC(=NC=C2Br)SCC3=CC=CC=C3F

InChI

InChI=1S/C20H17BrFN3O2S/c1-27-15-8-6-13(7-9-15)10-23-19(26)18-16(21)11-24-20(25-18)28-12-14-4-2-3-5-17(14)22/h2-9,11H,10,12H2,1H3,(H,23,26)