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

Systemtic Name: 2-[3-[(3-phenylazanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]ethanenitrile Openeye Name: 2-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetonitrile CAS Name: 2-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetonitrile IUPAC Name: 2-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetonitrile Traditional Name: 2-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]acetonitrile Formula: C19H15N7 MolecularWeight: 341.3693

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC=CC(=C4)CC#N

Isomeric SMILES

C1=CC=C(C=C1)NC2=C3C(=NN2)N=CN=C3NC4=CC=CC(=C4)CC#N

InChI

InChI=1S/C19H15N7/c20-10-9-13-5-4-8-15(11-13)24-17-16-18(22-12-21-17)25-26-19(16)23-14-6-2-1-3-7-14/h1-8,11-12H,9H2,(H3,21,22,23,24,25,26)