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

Systemtic Name: 3-[3-[(3-phenylazanyl-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]propanenitrile Openeye Name: 3-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]propanenitrile CAS Name: 3-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]propanenitrile IUPAC Name: 3-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]propanenitrile Traditional Name: 3-[3-[(3-anilino-2H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]phenyl]propionitrile Formula: C20H17N7 MolecularWeight: 355.39588

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N7/c21-11-5-7-14-6-4-10-16(12-14)25-18-17-19(23-13-22-18)26-27-20(17)24-15-8-2-1-3-9-15/h1-4,6,8-10,12-13H,5,7H2,(H3,22,23,24,25,26,27)