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

Systemtic Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate hydrochloride Openeye Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate hydrochloride CAS Name: 4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]benzene-1,2-diol hydrate hydrochloride IUPAC Name: 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzene-1,2-diol hydrate hydrochloride Traditional Name: 4-[[4-(2-pyrimidyl)piperazino]methyl]pyrocatechol hydrate hydrochloride Formula: C15H21ClN4O3 MolecularWeight: 340.80524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N4O2.ClH.H2O/c20-13-3-2-12(10-14(13)21)11-18-6-8-19(9-7-18)15-16-4-1-5-17-15;;/h1-5,10,20-21H,6-9,11H2;1H;1H2