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

Systemtic Name: (4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoate Openeye Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(3-methyl-4-oxo-quinazolin-2-yl)propanoate CAS Name: 3-(3-methyl-4-oxo-2-quinazolinyl)propanoic acid (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester IUPAC Name: (4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl 3-(3-methyl-4-oxoquinazolin-2-yl)propanoate Traditional Name: 3-(4-keto-3-methyl-quinazolin-2-yl)propionic acid (4-keto-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl ester Formula: C21H19N4O4+ MolecularWeight: 391.39996

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C21H18N4O4/c1-24-17(23-16-7-3-2-6-15(16)21(24)28)9-10-20(27)29-13-14-12-19(26)25-11-5-4-8-18(25)22-14/h2-8,11-12H,9-10,13H2,1H3/p+1