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

Systemtic Name: 5-[3-(azepan-1-yl)-3-oxidanylidene-propyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(azepan-1-yl)-3-oxo-propyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(1-azepanyl)-3-oxopropyl]-1-tert-butyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(azepan-1-yl)-3-oxopropyl]-1-tert-butylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(azepan-1-yl)-3-keto-propyl]-1-tert-butyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C18H27N5O2 MolecularWeight: 345.43928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O2/c1-18(2,3)23-16-14(12-20-23)17(25)22(13-19-16)11-8-15(24)21-9-6-4-5-7-10-21/h12-13H,4-11H2,1-3H3