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

Systemtic Name: 7-chloranyl-3-(2-methoxy-5-methyl-phenyl)-2-[(4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Openeye Name: 7-chloro-3-(2-methoxy-5-methyl-phenyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one CAS Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-4-quinazolinone IUPAC Name: 7-chloro-3-(2-methoxy-5-methylphenyl)-2-[(4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylsulfanyl]quinazolin-4-one Traditional Name: 7-chloro-2-[(4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methylthio]-3-(2-methoxy-5-methyl-phenyl)quinazolin-4-one Formula: C25H20ClN4O3S+ MolecularWeight: 491.9693

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC4=CC(=O)[N+]5=CC=CC=C5N4

InChI

InChI=1S/C25H19ClN4O3S/c1-15-6-9-21(33-2)20(11-15)30-24(32)18-8-7-16(26)12-19(18)28-25(30)34-14-17-13-23(31)29-10-4-3-5-22(29)27-17/h3-13H,14H2,1-2H3/p+1