4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromanyl-2H-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromanyl-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-bromo-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-(4-piperonylpiperazino)-2H-pyrazolo[3,4-d]pyrimidine Formula: C17H17BrN6O2 MolecularWeight: 417.25988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NNC(=C54)Br

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C4=NC=NC5=NNC(=C54)Br

InChI

InChI=1S/C17H17BrN6O2/c18-15-14-16(22-21-15)19-9-20-17(14)24-5-3-23(4-6-24)8-11-1-2-12-13(7-11)26-10-25-12/h1-2,7,9H,3-6,8,10H2,(H,19,20,21,22)