3-[4-azanyl-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzenecarbonitrile

Systemtic Name: 3-[4-azanyl-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzenecarbonitrile Openeye Name: 3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile CAS Name: 3-[4-amino-1-(4-bromophenyl)-6-pyrazolo[3,4-d]pyrimidinyl]benzonitrile IUPAC Name: 3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile Traditional Name: 3-[4-amino-1-(4-bromophenyl)pyrazolo[3,4-d]pyrimidin-6-yl]benzonitrile Formula: C18H11BrN6 MolecularWeight: 391.22414

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C2=NC3=C(C=NN3C4=CC=C(C=C4)Br)C(=N2)N)C#N

Isomeric SMILES

C1=CC(=CC(=C1)C2=NC3=C(C=NN3C4=CC=C(C=C4)Br)C(=N2)N)C#N

InChI

InChI=1S/C18H11BrN6/c19-13-4-6-14(7-5-13)25-18-15(10-22-25)16(21)23-17(24-18)12-3-1-2-11(8-12)9-20/h1-8,10H,(H2,21,23,24)