2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine

Systemtic Name: 2-[4-[(7-chloranyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine Openeye Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine CAS Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]pyrimidine IUPAC Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]pyrimidine Traditional Name: 2-[4-[(7-chloro-1,3-benzodioxol-5-yl)methyl]piperazino]pyrimidine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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