4-(phenylmethyl)-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazine-2,6-dione trihydrochloride

Systemtic Name: 4-(phenylmethyl)-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazine-2,6-dione trihydrochloride Openeye Name: 4-benzyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazine-2,6-dione trihydrochloride CAS Name: 4-(phenylmethyl)-1-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]piperazine-2,6-dione trihydrochloride IUPAC Name: 4-benzyl-1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperazine-2,6-dione trihydrochloride Traditional Name: 4-benzyl-1-[4-[4-(2-pyrimidyl)piperazino]butyl]piperazine-2,6-quinone trihydrochloride Formula: C23H33Cl3N6O2 MolecularWeight: 531.90612

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCN2C(=O)CN(CC2=O)CC3=CC=CC=C3)C4=NC=CC=N4.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCN2C(=O)CN(CC2=O)CC3=CC=CC=C3)C4=NC=CC=N4.Cl.Cl.Cl

InChI

InChI=1S/C23H30N6O2.3ClH/c30-21-18-27(17-20-7-2-1-3-8-20)19-22(31)29(21)12-5-4-11-26-13-15-28(16-14-26)23-24-9-6-10-25-23;;;/h1-3,6-10H,4-5,11-19H2;3*1H