3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-oxidanylidene-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-oxo-2-[4-(2-pyrimidinyl)-1-piperazinyl]ethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-keto-2-[4-(2-pyrimidyl)piperazino]ethyl]-2H-phthalazine-1,4-quinone Formula: C18H18N6O3 MolecularWeight: 366.37392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O3/c25-15(22-8-10-23(11-9-22)18-19-6-3-7-20-18)12-24-17(27)14-5-2-1-4-13(14)16(26)21-24/h1-7H,8-12H2,(H,21,26)