2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile

Systemtic Name: 2-[1-(3-chlorophenyl)-4-oxidanylidene-pyrazolo[3,4-d]pyrimidin-5-yl]ethanenitrile Openeye Name: 2-[1-(3-chlorophenyl)-4-oxo-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile CAS Name: 2-[1-(3-chlorophenyl)-4-oxo-5-pyrazolo[3,4-d]pyrimidinyl]acetonitrile IUPAC Name: 2-[1-(3-chlorophenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Traditional Name: 2-[1-(3-chlorophenyl)-4-keto-pyrazolo[3,4-d]pyrimidin-5-yl]acetonitrile Formula: C13H8ClN5O MolecularWeight: 285.68852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H8ClN5O/c14-9-2-1-3-10(6-9)19-12-11(7-17-19)13(20)18(5-4-15)8-16-12/h1-3,6-8H,5H2