N-(1-cyanocycloheptyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide

Systemtic Name: N-(1-cyanocycloheptyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(1-cyanocycloheptyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(1-cyanocycloheptyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(1-cyanocycloheptyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(1-cyanocycloheptyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C21H22N6O2 MolecularWeight: 390.43838

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C#N)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCC(CC1)(C#N)NC(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

InChI=1S/C21H22N6O2/c22-14-21(10-6-1-2-7-11-21)25-18(28)13-26-15-23-19-17(20(26)29)12-24-27(19)16-8-4-3-5-9-16/h3-5,8-9,12,15H,1-2,6-7,10-11,13H2,(H,25,28)