5-bromanyl-2-[(2-fluorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-[(2-fluorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide Openeye Name: 5-bromo-2-[(2-fluorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-[(2-fluorophenyl)methylthio]-N-(3-methoxyphenyl)-4-pyrimidinecarboxamide IUPAC Name: 5-bromo-2-[(2-fluorophenyl)methylsulfanyl]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide Traditional Name: 5-bromo-2-[(2-fluorobenzyl)thio]-N-(3-methoxyphenyl)pyrimidine-4-carboxamide Formula: C19H15BrFN3O2S MolecularWeight: 448.308703

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrFN3O2S/c1-26-14-7-4-6-13(9-14)23-18(25)17-15(20)10-22-19(24-17)27-11-12-5-2-3-8-16(12)21/h2-10H,11H2,1H3,(H,23,25)