3-[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile

Systemtic Name: 3-[1-(3,5-dimethylphenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Openeye Name: 3-[1-(3,5-dimethylphenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile CAS Name: 3-[1-(3,5-dimethylphenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]propanenitrile IUPAC Name: 3-[1-(3,5-dimethylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]propanenitrile Traditional Name: 3-[1-(3,5-dimethylphenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]propionitrile Formula: C16H15N5O MolecularWeight: 293.3232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C3=C(C=N2)C(=O)N(C=N3)CCC#N)C

InChI

InChI=1S/C16H15N5O/c1-11-6-12(2)8-13(7-11)21-15-14(9-19-21)16(22)20(10-18-15)5-3-4-17/h6-10H,3,5H2,1-2H3