3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbonitrile

Systemtic Name: 3-(1,3-dimethyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzenecarbonitrile Openeye Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzonitrile CAS Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzonitrile IUPAC Name: 3-(1,3-dimethyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxybenzonitrile Traditional Name: 3-(4-keto-1,3-dimethyl-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-4-propoxy-benzonitrile Formula: C17H17N5O2 MolecularWeight: 323.34918

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=C(NN(C3=N2)C)C

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C#N)C2=NC(=O)C3=C(NN(C3=N2)C)C

InChI

InChI=1S/C17H17N5O2/c1-4-7-24-13-6-5-11(9-18)8-12(13)15-19-16-14(17(23)20-15)10(2)21-22(16)3/h5-6,8,21H,4,7H2,1-3H3