5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(1-adamantyl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(1-adamantyl)-2-keto-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H24N4O2 MolecularWeight: 388.46226

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6

InChI

InChI=1S/C23H24N4O2/c28-20(23-9-15-6-16(10-23)8-17(7-15)11-23)13-26-14-24-21-19(22(26)29)12-25-27(21)18-4-2-1-3-5-18/h1-5,12,14-17H,6-11,13H2