2-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(7-methoxy-4-phenyl-2-quinolyl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(7-methoxy-4-phenyl-2-quinolinyl)thio]methyl]-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]pyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(7-methoxy-4-phenyl-2-quinolyl)thio]methyl]pyrido[1,2-a]pyrimidin-4-one Formula: C25H19N3O2S MolecularWeight: 425.50226

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=CC(=O)N4C=CC=CC4=N3)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O2S/c1-30-19-10-11-20-21(17-7-3-2-4-8-17)15-24(27-22(20)14-19)31-16-18-13-25(29)28-12-6-5-9-23(28)26-18/h2-15H,16H2,1H3