3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[[3-(2-azanyl-2-oxidanylidene-ethyl)-4-oxidanylidene-quinazolin-2-yl]methyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[[3-(2-amino-2-oxo-ethyl)-4-oxo-quinazolin-2-yl]methyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[[3-(2-amino-2-oxoethyl)-4-oxo-2-quinazolinyl]methyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[[3-(2-amino-2-oxoethyl)-4-oxoquinazolin-2-yl]methyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[[3-(2-amino-2-keto-ethyl)-4-keto-quinazolin-2-yl]methyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H15N5O5 MolecularWeight: 405.3636

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=NC4=CC=CC=C4C(=O)N3CC(=O)N)C(=O)O

InChI

InChI=1S/C20H15N5O5/c21-15(26)9-24-16(22-14-8-4-3-7-13(14)18(24)27)10-25-19(28)12-6-2-1-5-11(12)17(23-25)20(29)30/h1-8H,9-10H2,(H2,21,26)(H,29,30)