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

Systemtic Name: 3-bromanyl-4-[4-(phenylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(4-benzylpiperazin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-(phenylmethyl)-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(4-benzylpiperazin-1-yl)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(4-benzylpiperazino)-3-bromo-2H-pyrazolo[3,4-d]pyrimidine Formula: C16H17BrN6 MolecularWeight: 373.25038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=NNC(=C43)Br

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C3=NC=NC4=NNC(=C43)Br

InChI

InChI=1S/C16H17BrN6/c17-14-13-15(21-20-14)18-11-19-16(13)23-8-6-22(7-9-23)10-12-4-2-1-3-5-12/h1-5,11H,6-10H2,(H,18,19,20,21)