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

Systemtic Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]pyrimidine Traditional Name: 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazino]pyrimidine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C4=NC=CC=N4

InChI

InChI=1S/C16H18N4O2/c1-3-13(15-14(4-1)21-12-22-15)11-19-7-9-20(10-8-19)16-17-5-2-6-18-16/h1-6H,7-12H2