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

Systemtic Name: 5-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(azepan-1-yl)-2-oxo-ethyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(1-azepanyl)-2-oxoethyl]-1-(4-methylphenyl)-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(azepan-1-yl)-2-oxoethyl]-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(azepan-1-yl)-2-keto-ethyl]-1-(p-tolyl)pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H23N5O2 MolecularWeight: 365.42892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=O)N(C=N3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C20H23N5O2/c1-15-6-8-16(9-7-15)25-19-17(12-22-25)20(27)24(14-21-19)13-18(26)23-10-4-2-3-5-11-23/h6-9,12,14H,2-5,10-11,13H2,1H3