3-[(4-azanylquinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[(4-azanylquinazolin-2-yl)methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[(4-aminoquinazolin-2-yl)methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[(4-amino-2-quinazolinyl)methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[(4-aminoquinazolin-2-yl)methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[(4-aminoquinazolin-2-yl)methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C18H13N5O3 MolecularWeight: 347.32752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=N3)N)C(=O)O

InChI

InChI=1S/C18H13N5O3/c19-16-12-7-3-4-8-13(12)20-14(21-16)9-23-17(24)11-6-2-1-5-10(11)15(22-23)18(25)26/h1-8H,9H2,(H,25,26)(H2,19,20,21)