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

Systemtic Name: 5-[2-(2-cyclohexyliminopyridin-1-yl)-2-oxidanylidene-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Openeye Name: 5-[2-(2-cyclohexylimino-1-pyridyl)-2-oxo-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one CAS Name: 5-[2-(2-cyclohexylimino-1-pyridinyl)-2-oxoethyl]-1-methyl-4-pyrazolo[3,4-d]pyrimidinone IUPAC Name: 5-[2-(2-cyclohexyliminopyridin-1-yl)-2-oxoethyl]-1-methylpyrazolo[3,4-d]pyrimidin-4-one Traditional Name: 5-[2-(2-cyclohexylimino-1-pyridyl)-2-keto-ethyl]-1-methyl-pyrazolo[3,4-d]pyrimidin-4-one Formula: C19H22N6O2 MolecularWeight: 366.41698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N6O2/c1-23-18-15(11-21-23)19(27)24(13-20-18)12-17(26)25-10-6-5-9-16(25)22-14-7-3-2-4-8-14/h5-6,9-11,13-14H,2-4,7-8,12H2,1H3