3-butyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 3-butyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 3-butyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 3-butyl-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-4-quinazolinone IUPAC Name: 3-butyl-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 3-butyl-2-[(4-keto-7-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:

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)C

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=CC(=O)N4C=C(C=CC4=N3)C

InChI

InChI=1S/C22H22N4O2S/c1-3-4-11-25-21(28)17-7-5-6-8-18(17)24-22(25)29-14-16-12-20(27)26-13-15(2)9-10-19(26)23-16/h5-10,12-13H,3-4,11,14H2,1-2H3