2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[2-(1,3-benzodioxol-5-yl)ethyl]piperazin-1-yl]pyrimidine Traditional Name: 2-(4-homopiperonylpiperazino)pyrimidine Formula: C17H20N4O2 MolecularWeight: 312.3663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CCC2=CC3=C(C=C2)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C17H20N4O2/c1-5-18-17(19-6-1)21-10-8-20(9-11-21)7-4-14-2-3-15-16(12-14)23-13-22-15/h1-3,5-6,12H,4,7-11,13H2