N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamide hydrate dihydrochloride

Systemtic Name: N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]ethanamide hydrate dihydrochloride Openeye Name: N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide hydrate dihydrochloride CAS Name: N-[[4-[[4-(2-pyrimidinyl)-1-piperazinyl]methyl]phenyl]methyl]acetamide hydrate dihydrochloride IUPAC Name: N-[[4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]phenyl]methyl]acetamide hydrate dihydrochloride Traditional Name: N-[4-[[4-(2-pyrimidyl)piperazino]methyl]benzyl]acetamide hydrate dihydrochloride Formula: C18H27Cl2N5O2 MolecularWeight: 416.34528

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3.O.Cl.Cl

Isomeric SMILES

CC(=O)NCC1=CC=C(C=C1)CN2CCN(CC2)C3=NC=CC=N3.O.Cl.Cl

InChI

InChI=1S/C18H23N5O.2ClH.H2O/c1-15(24)21-13-16-3-5-17(6-4-16)14-22-9-11-23(12-10-22)18-19-7-2-8-20-18;;;/h2-8H,9-14H2,1H3,(H,21,24);2*1H;1H2