7-bromanyl-2-(2-pyridin-4-ylethylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 7-bromanyl-2-(2-pyridin-4-ylethylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one Openeye Name: 7-bromo-2-[2-(4-pyridyl)ethylsulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 7-bromo-2-[(2-pyridin-4-ylethylthio)methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 7-bromo-2-(2-pyridin-4-ylethylsulfanylmethyl)pyrido[1,2-a]pyrimidin-4-one Traditional Name: 7-bromo-2-[[2-(4-pyridyl)ethylthio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C16H14BrN3OS MolecularWeight: 376.27086

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCCC3=CC=NC=C3

Isomeric SMILES

C1=CC2=NC(=CC(=O)N2C=C1Br)CSCCC3=CC=NC=C3

InChI

InChI=1S/C16H14BrN3OS/c17-13-1-2-15-19-14(9-16(21)20(15)10-13)11-22-8-5-12-3-6-18-7-4-12/h1-4,6-7,9-10H,5,8,11H2