2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-pyrimidinamine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]pyrimidin-4-amine Traditional Name: [2-(4-piperonylpiperazino)pyrimidin-4-yl]amine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=CC(=N4)N

InChI

InChI=1S/C16H19N5O2/c17-15-3-4-18-16(19-15)21-7-5-20(6-8-21)10-12-1-2-13-14(9-12)23-11-22-13/h1-4,9H,5-8,10-11H2,(H2,17,18,19)