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

Systemtic Name: 5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(1-adamantyl)-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(1-adamantyl)-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C18H22N4O2/c1-21-16-14(8-20-21)17(24)22(10-19-16)9-15(23)18-5-11-2-12(6-18)4-13(3-11)7-18/h8,10-13H,2-7,9H2,1H3