5-[3-(2-cyclohexyliminopyridin-1-yl)-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one

Systemtic Name: 5-[3-(2-cyclohexyliminopyridin-1-yl)-3-oxidanylidene-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[3-(2-cyclohexylimino-1-pyridyl)-3-oxo-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[3-(2-cyclohexylimino-1-pyridinyl)-3-oxopropyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[3-(2-cyclohexyliminopyridin-1-yl)-3-oxopropyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[3-(2-cyclohexylimino-1-pyridyl)-3-keto-propyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C20H24N6O2 MolecularWeight: 380.44356

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3C=CC=CC3=NC4CCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=O)N(C=N2)CCC(=O)N3C=CC=CC3=NC4CCCCC4

InChI

InChI=1S/C20H24N6O2/c1-24-19-16(13-22-24)20(28)25(14-21-19)12-10-18(27)26-11-6-5-9-17(26)23-15-7-3-2-4-8-15/h5-6,9,11,13-15H,2-4,7-8,10,12H2,1H3