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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-1-phenyl-ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenyl-ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxo-1-phenylethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one IUPAC Name: 5-[2-(azepan-1-yl)-2-oxo-1-phenylethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-1-phenyl-ethyl]-1H-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H21N5O2 MolecularWeight: 351.40234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=O)C=NN4

Isomeric SMILES

C1CCCN(CC1)C(=O)C(C2=CC=CC=C2)N3C=NC4=C(C3=O)C=NN4

InChI

InChI=1S/C19H21N5O2/c25-18-15-12-21-22-17(15)20-13-24(18)16(14-8-4-3-5-9-14)19(26)23-10-6-1-2-7-11-23/h3-5,8-9,12-13,16H,1-2,6-7,10-11H2,(H,21,22)