2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-3-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-3-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methylthio]-3-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[4-(6-chloronicotinoyl)benzyl]thio]-3-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C22H16ClN3O2S MolecularWeight: 421.89934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C2C=CC=CN2C1=O)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=C(N=C2C=CC=CN2C1=O)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H16ClN3O2S/c1-14-21(25-19-4-2-3-11-26(19)22(14)28)29-13-15-5-7-16(8-6-15)20(27)17-9-10-18(23)24-12-17/h2-12H,13H2,1H3