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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1-(2-hydroxyethyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1-(2-hydroxyethyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C15H21N5O3 MolecularWeight: 319.35894

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3CCO

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3CCO

InChI

InChI=1S/C15H21N5O3/c21-8-7-20-14-12(9-17-20)15(23)19(11-16-14)10-13(22)18-5-3-1-2-4-6-18/h9,11,21H,1-8,10H2