3-[(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate

Systemtic Name: 3-[(6-methyl-4-oxidanylidene-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylate Openeye Name: 3-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-4-oxo-phthalazine-1-carboxylate CAS Name: 3-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-4-oxo-1-phthalazinecarboxylate IUPAC Name: 3-[(6-methyl-4-oxo-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]-4-oxophthalazine-1-carboxylate Traditional Name: 4-keto-3-[(4-keto-6-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-2-yl)methyl]phthalazine-1-carboxylate Formula: C19H14N4O4 MolecularWeight: 362.33886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

Isomeric SMILES

CC1=[N+]2C(=CC=C1)NC(=CC2=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)[O-]

InChI

InChI=1S/C19H14N4O4/c1-11-5-4-8-15-20-12(9-16(24)23(11)15)10-22-18(25)14-7-3-2-6-13(14)17(21-22)19(26)27/h2-9H,10H2,1H3,(H,26,27)