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

Systemtic Name: 5-[2-(1-adamantyl)-2-oxidanylidene-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(1-adamantyl)-2-oxo-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-(2-nitrophenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(1-adamantyl)-2-oxoethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(1-adamantyl)-2-keto-ethyl]-1-(2-nitrophenyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C23H23N5O4 MolecularWeight: 433.45982

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6[N+](=O)[O-]

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)CN4C=NC5=C(C4=O)C=NN5C6=CC=CC=C6[N+](=O)[O-]

InChI

InChI=1S/C23H23N5O4/c29-20(23-8-14-5-15(9-23)7-16(6-14)10-23)12-26-13-24-21-17(22(26)30)11-25-27(21)18-3-1-2-4-19(18)28(31)32/h1-4,11,13-16H,5-10,12H2