4-oxidanylidene-3-[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[1-oxidanylidene-1-(pyrimidin-2-ylamino)propan-2-yl]phthalazine-1-carboxylic acid Openeye Name: 3-[1-methyl-2-oxo-2-(pyrimidin-2-ylamino)ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[1-oxo-1-(2-pyrimidinylamino)propan-2-yl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[1-oxo-1-(pyrimidin-2-ylamino)propan-2-yl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-1-methyl-2-(2-pyrimidylamino)ethyl]phthalazine-1-carboxylic acid Formula: C16H13N5O4 MolecularWeight: 339.30552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=NC=CC=N1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

Isomeric SMILES

CC(C(=O)NC1=NC=CC=N1)N2C(=O)C3=CC=CC=C3C(=N2)C(=O)O

InChI

InChI=1S/C16H13N5O4/c1-9(13(22)19-16-17-7-4-8-18-16)21-14(23)11-6-3-2-5-10(11)12(20-21)15(24)25/h2-9H,1H3,(H,24,25)(H,17,18,19,22)