7-chloranyl-3-(3-methylbutyl)-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one

Systemtic Name: 7-chloranyl-3-(3-methylbutyl)-2-[(7-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-isopentyl-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(3-methylbutyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(3-methylbutyl)-2-[(7-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-3-isoamyl-2-[(4-keto-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]quinazolin-4-one Formula: C23H24ClN4O2S+ MolecularWeight: 455.98026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSC3=NC4=C(C=CC(=C4)Cl)C(=O)N3CCC(C)C

InChI

InChI=1S/C23H23ClN4O2S/c1-14(2)8-9-27-22(30)18-6-5-16(24)10-19(18)26-23(27)31-13-17-11-21(29)28-12-15(3)4-7-20(28)25-17/h4-7,10-12,14H,8-9,13H2,1-3H3/p+1