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

Systemtic Name: 4-(4-chloranylpyrazolo[3,4-d]pyrimidin-1-yl)benzenecarbonitrile Openeye Name: 4-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile CAS Name: 4-(4-chloro-1-pyrazolo[3,4-d]pyrimidinyl)benzonitrile IUPAC Name: 4-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile Traditional Name: 4-(4-chloropyrazolo[3,4-d]pyrimidin-1-yl)benzonitrile Formula: C12H6ClN5 MolecularWeight: 255.66254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H6ClN5/c13-11-10-6-17-18(12(10)16-7-15-11)9-3-1-8(5-14)2-4-9/h1-4,6-7H