2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phthalazine-1,4-dione dihydrate dihydrochloride

Systemtic Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phthalazine-1,4-dione dihydrate dihydrochloride Openeye Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phthalazine-1,4-dione dihydrate dihydrochloride CAS Name: 2-phenyl-3-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]phthalazine-1,4-dione dihydrate dihydrochloride IUPAC Name: 2-phenyl-3-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]phthalazine-1,4-dione dihydrate dihydrochloride Traditional Name: 2-phenyl-3-[4-[4-(2-pyrimidyl)piperazino]butyl]phthalazine-1,4-quinone dihydrate dihydrochloride Formula: C26H34Cl2N6O4 MolecularWeight: 565.49196

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=NC=CC=N5.O.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)C3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C5=NC=CC=N5.O.O.Cl.Cl

InChI

InChI=1S/C26H28N6O2.2ClH.2H2O/c33-24-22-11-4-5-12-23(22)25(34)32(21-9-2-1-3-10-21)31(24)16-7-6-15-29-17-19-30(20-18-29)26-27-13-8-14-28-26;;;;/h1-5,8-14H,6-7,15-20H2;2*1H;2*1H2