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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1-phenyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1-phenyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1-phenyl-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)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

Isomeric SMILES

C1CCCN(CC1)C(=O)CN2C=NC3=C(C2=O)C=NN3C4=CC=CC=C4

InChI

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