(7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(8-methyl-4-oxidanylidene-quinazolin-3-yl)butanoate Openeye Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(8-methyl-4-oxo-quinazolin-3-yl)butanoate CAS Name: 4-(8-methyl-4-oxo-3-quinazolinyl)butanoic acid (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 4-(8-methyl-4-oxoquinazolin-3-yl)butanoate Traditional Name: 4-(4-keto-8-methyl-quinazolin-3-yl)butyric acid (7-chloro-4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C22H20ClN4O4+ MolecularWeight: 439.8716

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=CN(C2=O)CCCC(=O)OCC3=CC(=O)[N+]4=C(N3)C=CC(=C4)Cl

InChI

InChI=1S/C22H19ClN4O4/c1-14-4-2-5-17-21(14)24-13-26(22(17)30)9-3-6-20(29)31-12-16-10-19(28)27-11-15(23)7-8-18(27)25-16/h2,4-5,7-8,10-11,13H,3,6,9,12H2,1H3/p+1