2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(5-tert-butyl-2-methyl-phenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(5-tert-butyl-2-methylphenyl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(5-tert-butyl-2-methylphenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(5-tert-butyl-2-methyl-phenyl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=C(C=CC(=C3)C(C)(C)C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=C(C=CC(=C3)C(C)(C)C)C)C=C1

InChI

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