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

Systemtic Name: 6-chloranyl-2-[(7-methyl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-chloro-3-isobutyl-2-[(7-methyl-4-oxo-pyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 6-chloro-2-[(7-methyl-4-oxo-2-pyrido[1,2-a]pyrimidinyl)methylthio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methylsulfanyl]-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-3-isobutyl-2-[(4-keto-7-methyl-pyrido[1,2-a]pyrimidin-2-yl)methylthio]quinazolin-4-one Formula: C22H21ClN4O2S MolecularWeight: 440.94574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C)C=C1

Isomeric SMILES

CC1=CN2C(=NC(=CC2=O)CSC3=NC4=C(C=C(C=C4)Cl)C(=O)N3CC(C)C)C=C1

InChI

InChI=1S/C22H21ClN4O2S/c1-13(2)10-27-21(29)17-8-15(23)5-6-18(17)25-22(27)30-12-16-9-20(28)26-11-14(3)4-7-19(26)24-16/h4-9,11,13H,10,12H2,1-3H3