2-[(4-tert-butylphenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-tert-butylphenyl)methylthio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-tert-butylbenzyl)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)CSCC3=CC=C(C=C3)C(C)(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSCC3=CC=C(C=C3)C(C)(C)C)C=C1

InChI

InChI=1S/C21H24N2OS/c1-15-5-10-19-22-18(11-20(24)23(19)12-15)14-25-13-16-6-8-17(9-7-16)21(2,3)4/h5-12H,13-14H2,1-4H3