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

Systemtic Name: 3-bromanyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2H-pyrazolo[3,4-d]pyrimidine Openeye Name: 3-bromo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2H-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-[4-(2-pyrimidinyl)-1-piperazinyl]-2H-pyrazolo[3,4-d]pyrimidine IUPAC Name: 3-bromo-4-(4-pyrimidin-2-ylpiperazin-1-yl)-2H-pyrazolo[3,4-d]pyrimidine Traditional Name: 3-bromo-4-[4-(2-pyrimidyl)piperazino]-2H-pyrazolo[3,4-d]pyrimidine Formula: C13H13BrN8 MolecularWeight: 361.19992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=NC3=NNC(=C32)Br)C4=NC=CC=N4

Isomeric SMILES

C1CN(CCN1C2=NC=NC3=NNC(=C32)Br)C4=NC=CC=N4

InChI

InChI=1S/C13H13BrN8/c14-10-9-11(20-19-10)17-8-18-12(9)21-4-6-22(7-5-21)13-15-2-1-3-16-13/h1-3,8H,4-7H2,(H,17,18,19,20)