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

Systemtic Name: 4-[3-(1-cyclohexyl-4-oxidanylidene-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-1-yl]benzenecarbonitrile Openeye Name: 4-[3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-1-yl]benzonitrile CAS Name: 4-[3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)-1-azetidinyl]benzonitrile IUPAC Name: 4-[3-(1-cyclohexyl-4-oxo-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-1-yl]benzonitrile Traditional Name: 4-[3-(1-cyclohexyl-4-keto-2H-pyrazolo[3,4-d]pyrimidin-6-yl)azetidin-1-yl]benzonitrile Formula: C21H22N6O MolecularWeight: 374.43898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C5=CC=C(C=C5)C#N

Isomeric SMILES

C1CCC(CC1)N2C3=NC(=NC(=O)C3=CN2)C4CN(C4)C5=CC=C(C=C5)C#N

InChI

InChI=1S/C21H22N6O/c22-10-14-6-8-16(9-7-14)26-12-15(13-26)19-24-20-18(21(28)25-19)11-23-27(20)17-4-2-1-3-5-17/h6-9,11,15,17,23H,1-5,12-13H2