4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)benzenecarbonitrile

Systemtic Name: 4-(4-azanylpyrazolo[3,4-d]pyrimidin-1-yl)benzenecarbonitrile Openeye Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile CAS Name: 4-(4-amino-1-pyrazolo[3,4-d]pyrimidinyl)benzonitrile IUPAC Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile Traditional Name: 4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile Formula: C12H8N6 MolecularWeight: 236.23212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)N2C3=C(C=N2)C(=NC=N3)N

Isomeric SMILES

C1=CC(=CC=C1C#N)N2C3=C(C=N2)C(=NC=N3)N

InChI

InChI=1S/C12H8N6/c13-5-8-1-3-9(4-2-8)18-12-10(6-17-18)11(14)15-7-16-12/h1-4,6-7H,(H2,14,15,16)