2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(5-tert-butyl-2-methylphenyl)thio]methyl]-9-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(5-tert-butyl-2-methyl-phenyl)thio]methyl]-9-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24N2OS/c1-14-8-9-16(21(3,4)5)11-18(14)25-13-17-12-19(24)23-10-6-7-15(2)20(23)22-17/h6-12H,13H2,1-5H3