N-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethyl-N'-pyrimidin-2-yl-ethane-1,2-diamine hydrate tetrahydrochloride

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethyl-N'-pyrimidin-2-yl-ethane-1,2-diamine hydrate tetrahydrochloride Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethyl-N'-pyrimidin-2-yl-ethane-1,2-diamine hydrate tetrahydrochloride CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethyl-N'-(2-pyrimidinyl)ethane-1,2-diamine hydrate tetrahydrochloride IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-N,N'-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine hydrate tetrahydrochloride Traditional Name: methyl-[2-[methyl(piperonyl)amino]ethyl]-(2-pyrimidyl)amine hydrate tetrahydrochloride Formula: C32H46Cl4N8O5 MolecularWeight: 764.57024

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCN(C)C1=NC=CC=N1)CC2=CC3=C(C=C2)OCO3.CN(CCN(C)C1=NC=CC=N1)CC2=CC3=C(C=C2)OCO3.O.Cl.Cl.Cl.Cl

Isomeric SMILES

CN(CCN(C)C1=NC=CC=N1)CC2=CC3=C(C=C2)OCO3.CN(CCN(C)C1=NC=CC=N1)CC2=CC3=C(C=C2)OCO3.O.Cl.Cl.Cl.Cl

InChI

InChI=1S/2C16H20N4O2.4ClH.H2O/c2*1-19(8-9-20(2)16-17-6-3-7-18-16)11-13-4-5-14-15(10-13)22-12-21-14;;;;;/h2*3-7,10H,8-9,11-12H2,1-2H3;4*1H;1H2