3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-phenyl-amino]propanenitrile

Systemtic Name: 3-[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-phenyl-amino]propanenitrile Openeye Name: 3-(N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)anilino)propanenitrile CAS Name: 3-(N-(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)anilino)propanenitrile IUPAC Name: 3-(N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)anilino)propanenitrile Traditional Name: 3-(N-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)anilino)propionitrile Formula: C15H14N6 MolecularWeight: 278.31186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N(CCC#N)C3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N(CCC#N)C3=CC=CC=C3

InChI

InChI=1S/C15H14N6/c1-20-14-13(10-19-20)15(18-11-17-14)21(9-5-8-16)12-6-3-2-4-7-12/h2-4,6-7,10-11H,5,9H2,1H3