4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid

Systemtic Name: 4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Openeye Name: 4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid CAS Name: 4-oxo-3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-1-phthalazinecarboxylic acid IUPAC Name: 4-oxo-3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]phthalazine-1-carboxylic acid Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]phthalazine-1-carboxylic acid Formula: C19H18N6O4 MolecularWeight: 394.38402

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C19H18N6O4/c26-15(23-8-10-24(11-9-23)19-20-6-3-7-21-19)12-25-17(27)14-5-2-1-4-13(14)16(22-25)18(28)29/h1-7H,8-12H2,(H,28,29)