4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile

Systemtic Name: 4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzenecarbonitrile Openeye Name: 4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile CAS Name: 4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile IUPAC Name: 4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile Traditional Name: 4-[(3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]benzonitrile Formula: C18H12N6 MolecularWeight: 312.32808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C(C=C1)C2=C3C(=NN2)N=CN=C3NC4=CC=C(C=C4)C#N

InChI

InChI=1S/C18H12N6/c19-10-12-6-8-14(9-7-12)22-17-15-16(13-4-2-1-3-5-13)23-24-18(15)21-11-20-17/h1-9,11H,(H2,20,21,22,23,24)