2-[(4-tert-butylphenyl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]-6-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-6-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]-6-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC1=CC=CC2=NC(=CC(=O)N12)CSC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C20H22N2OS/c1-14-6-5-7-18-21-16(12-19(23)22(14)18)13-24-17-10-8-15(9-11-17)20(2,3)4/h5-12H,13H2,1-4H3