4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate tetrahydrochloride

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate tetrahydrochloride Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate tetrahydrochloride CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzene-1,2-diol hydrate tetrahydrochloride IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate tetrahydrochloride Traditional Name: 4-[[4-(2-pyrimidyl)piperazino]methyl]pyrocatechol hydrate tetrahydrochloride Formula: C30H42Cl4N8O5 MolecularWeight: 736.51708

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3.C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3.C1CN(CCN1CC2=CC(=C(C=C2)O)O)C3=NC=CC=N3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C15H18N4O2.4ClH.H2O/c2*20-13-3-2-12(10-14(13)21)11-18-6-8-19(9-7-18)15-16-4-1-5-17-15;;;;;/h2*1-5,10,20-21H,6-9,11H2;4*1H;1H2