2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-bromo-2-fluoro-phenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-bromo-2-fluorophenyl)methylthio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-bromo-2-fluorophenyl)methylsulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-bromo-2-fluoro-benzyl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C17H14BrFN2OS MolecularWeight: 393.273263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSCC3=C(C=C(C=C3)Br)F)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=C(C=C(C=C3)Br)F)C=C1

InChI

InChI=1S/C17H14BrFN2OS/c1-11-2-5-16-20-14(7-17(22)21(16)8-11)10-23-9-12-3-4-13(18)6-15(12)19/h2-8H,9-10H2,1H3