3-[[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 3-[[4-(3-bromanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 3-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile CAS Name: 3-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)-1-piperazinyl]methyl]benzonitrile IUPAC Name: 3-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(3-bromo-2H-pyrazolo[3,4-d]pyrimidin-4-yl)piperazino]methyl]benzonitrile Formula: C17H16BrN7 MolecularWeight: 398.25984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN7/c18-15-14-16(23-22-15)20-11-21-17(14)25-6-4-24(5-7-25)10-13-3-1-2-12(8-13)9-19/h1-3,8,11H,4-7,10H2,(H,20,21,22,23)