2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(9-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 3-isobutyl-2-[(9-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 2-[(9-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 3-isobutyl-2-[(4-keto-9-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-4-one Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CN2C1=NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C

Isomeric SMILES

CC1=CC=CN2C1=NC(=CC2=O)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C

InChI

InChI=1S/C22H22N4O2S/c1-14(2)12-26-21(28)17-8-4-5-9-18(17)24-22(26)29-13-16-11-19(27)25-10-6-7-15(3)20(25)23-16/h4-11,14H,12-13H2,1-3H3