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

Systemtic Name: N-(2-adamantyl)-2-(4-oxidanylidene-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)ethanamide Openeye Name: N-(2-adamantyl)-2-(4-oxo-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide CAS Name: N-(2-adamantyl)-2-(4-oxo-1-phenyl-5-pyrazolo[3,4-d]pyrimidinyl)acetamide IUPAC Name: N-(2-adamantyl)-2-(4-oxo-1-phenylpyrazolo[3,4-d]pyrimidin-5-yl)acetamide Traditional Name: N-(2-adamantyl)-2-(4-keto-1-phenyl-pyrazolo[3,4-d]pyrimidin-5-yl)acetamide Formula: C23H25N5O2 MolecularWeight: 403.4769

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6

InChI

InChI=1S/C23H25N5O2/c29-20(26-21-16-7-14-6-15(9-16)10-17(21)8-14)12-27-13-24-22-19(23(27)30)11-25-28(22)18-4-2-1-3-5-18/h1-5,11,13-17,21H,6-10,12H2,(H,26,29)