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

Systemtic Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one CAS Name: 2-[[(4-tert-butylphenyl)thio]methyl]-7-methyl-4-pyrido[1,2-a]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one Traditional Name: 2-[[(4-tert-butylphenyl)thio]methyl]-7-methyl-pyrido[1,2-a]pyrimidin-4-one Formula: C20H22N2OS MolecularWeight: 338.46648

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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