N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide

Systemtic Name: N-[2-[4-oxidanylidene-5-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-1-yl]ethyl]adamantane-1-carboxamide Openeye Name: N-[2-(5-benzyl-4-oxo-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide CAS Name: N-[2-[4-oxo-5-(phenylmethyl)-1-pyrazolo[3,4-d]pyrimidinyl]ethyl]-1-adamantanecarboxamide IUPAC Name: N-[2-(5-benzyl-4-oxopyrazolo[3,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide Traditional Name: N-[2-(5-benzyl-4-keto-pyrazolo[3,4-d]pyrimidin-1-yl)ethyl]adamantane-1-carboxamide Formula: C25H29N5O2 MolecularWeight: 431.53006

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C(=O)NCCN4C5=C(C=N4)C(=O)N(C=N5)CC6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C(=O)NCCN4C5=C(C=N4)C(=O)N(C=N5)CC6=CC=CC=C6

InChI

InChI=1S/C25H29N5O2/c31-23-21-14-28-30(22(21)27-16-29(23)15-17-4-2-1-3-5-17)7-6-26-24(32)25-11-18-8-19(12-25)10-20(9-18)13-25/h1-5,14,16,18-20H,6-13,15H2,(H,26,32)