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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloranyl-pyrimidine Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloro-pyrimidine CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-5-chloropyrimidine IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-5-chloropyrimidine Traditional Name: 5-chloro-2-(4-piperonylpiperazino)pyrimidine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O2/c17-13-8-18-16(19-9-13)21-5-3-20(4-6-21)10-12-1-2-14-15(7-12)23-11-22-14/h1-2,7-9H,3-6,10-11H2