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

Systemtic Name: 1-[[4-(6-chloranylpyridin-3-yl)carbonylphenyl]methylsulfanyl]-3-methyl-6H-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 1-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3-methyl-6H-pyrido[1,2-a]pyrimidin-4-one CAS Name: 1-[[4-[(6-chloro-3-pyridinyl)-oxomethyl]phenyl]methylthio]-3-methyl-6H-pyrido[1,2-a]pyrimidin-4-one IUPAC Name: 1-[[4-(6-chloropyridine-3-carbonyl)phenyl]methylsulfanyl]-3-methyl-6H-pyrido[1,2-a]pyrimidin-4-one Traditional Name: 1-[[4-(6-chloronicotinoyl)benzyl]thio]-3-methyl-6H-pyrido[1,2-a]pyrimidin-4-one Formula: C22H18ClN3O2S MolecularWeight: 423.91522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C2=CC=CCN2C1=O)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

Isomeric SMILES

CC1=CN(C2=CC=CCN2C1=O)SCC3=CC=C(C=C3)C(=O)C4=CN=C(C=C4)Cl

InChI

InChI=1S/C22H18ClN3O2S/c1-15-13-26(20-4-2-3-11-25(20)22(15)28)29-14-16-5-7-17(8-6-16)21(27)18-9-10-19(23)24-12-18/h2-10,12-13H,11,14H2,1H3