2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol hydrate hydrochloride

Systemtic Name: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol hydrate hydrochloride Openeye Name: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol hydrate hydrochloride CAS Name: 2-methoxy-4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenol hydrate hydrochloride IUPAC Name: 2-methoxy-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenol hydrate hydrochloride Traditional Name: 2-methoxy-4-[[4-(2-pyrimidyl)piperazino]methyl]phenol hydrate hydrochloride Formula: C16H23ClN4O3 MolecularWeight: 354.83182

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.O.Cl

Isomeric SMILES

COC1=C(C=CC(=C1)CN2CCN(CC2)C3=NC=CC=N3)O.O.Cl

InChI

InChI=1S/C16H20N4O2.ClH.H2O/c1-22-15-11-13(3-4-14(15)21)12-19-7-9-20(10-8-19)16-17-5-2-6-18-16;;/h2-6,11,21H,7-10,12H2,1H3;1H;1H2