5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C17H25N5O2 MolecularWeight: 331.4127

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCCCC3

Isomeric SMILES

CC(C)(C)N1C2=C(C=N1)C(=O)N(C=N2)CC(=O)N3CCCCCC3

InChI

InChI=1S/C17H25N5O2/c1-17(2,3)22-15-13(10-19-22)16(24)21(12-18-15)11-14(23)20-8-6-4-5-7-9-20/h10,12H,4-9,11H2,1-3H3