2-[(3,4-dimethylphenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(3,4-dimethylphenyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(3,4-dimethylphenyl)thio]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C18H18N2OS MolecularWeight: 310.41332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCC2=CC(=O)N3C=CC=C(C3=N2)C)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC2=CC(=O)N3C=CC=C(C3=N2)C)C

InChI

InChI=1S/C18H18N2OS/c1-12-6-7-16(9-14(12)3)22-11-15-10-17(21)20-8-4-5-13(2)18(20)19-15/h4-10H,11H2,1-3H3