3-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(6,7-dimethoxy-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(6,7-dimethoxy-4-oxo-1H-quinazolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[(4-keto-6,7-dimethoxy-1H-quinazolin-2-yl)methyl]phthalazine-1-carboxylic acid Formula: C20H16N4O6 MolecularWeight: 408.36424

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)OC

InChI

InChI=1S/C20H16N4O6/c1-29-14-7-12-13(8-15(14)30-2)21-16(22-18(12)25)9-24-19(26)11-6-4-3-5-10(11)17(23-24)20(27)28/h3-8H,9H2,1-2H3,(H,27,28)(H,21,22,25)