2-[4-(1,2-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine dihydrochloride

Systemtic Name: 2-[4-(1,2-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine dihydrochloride Openeye Name: 2-[4-(1,2-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine dihydrochloride CAS Name: 2-[4-(1,2-benzodioxin-6-ylmethyl)-1-piperazinyl]pyrimidine dihydrochloride IUPAC Name: 2-[4-(1,2-benzodioxin-6-ylmethyl)piperazin-1-yl]pyrimidine dihydrochloride Traditional Name: 2-[4-(1,2-benzodioxin-6-ylmethyl)piperazino]pyrimidine dihydrochloride Formula: C17H20Cl2N4O2 MolecularWeight: 383.2723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OOC=C3)C4=NC=CC=N4.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OOC=C3)C4=NC=CC=N4.Cl.Cl

InChI

InChI=1S/C17H18N4O2.2ClH/c1-5-18-17(19-6-1)21-9-7-20(8-10-21)13-14-2-3-16-15(12-14)4-11-22-23-16;;/h1-6,11-12H,7-10,13H2;2*1H