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

Systemtic Name: 3-bromanyl-4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-(1H-imidazol-2-ylmethyl)-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-[4-(1H-imidazol-2-ylmethyl)piperazin-1-yl]-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(1H-imidazol-2-ylmethyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C13H15BrN8 MolecularWeight: 363.2158

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC=CN2)C3=NC=NC4=NNC(=C43)Br

Isomeric SMILES

C1CN(CCN1CC2=NC=CN2)C3=NC=NC4=NNC(=C43)Br

InChI

InChI=1S/C13H15BrN8/c14-11-10-12(20-19-11)17-8-18-13(10)22-5-3-21(4-6-22)7-9-15-1-2-16-9/h1-2,8H,3-7H2,(H,15,16)(H,17,18,19,20)