3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzenecarbonitrile

Systemtic Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzenecarbonitrile Openeye Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzonitrile CAS Name: 3-[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)oxy]benzonitrile IUPAC Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzonitrile Traditional Name: 3-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)oxybenzonitrile Formula: C13H9N5O MolecularWeight: 251.24346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)OC3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)OC3=CC=CC(=C3)C#N

InChI

InChI=1S/C13H9N5O/c1-18-12-11(7-17-18)13(16-8-15-12)19-10-4-2-3-9(5-10)6-14/h2-5,7-8H,1H3