azepan-1-yl-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methanone

Systemtic Name: azepan-1-yl-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methanone Openeye Name: azepan-1-yl-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methanone CAS Name: 1-azepanyl-[4-[[(1-methyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]phenyl]methanone IUPAC Name: azepan-1-yl-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methanone Traditional Name: azepan-1-yl-[4-[[(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]methanone Formula: C20H24N6O MolecularWeight: 364.44416

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)C(=O)N4CCCCCC4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)NCC3=CC=C(C=C3)C(=O)N4CCCCCC4

InChI

InChI=1S/C20H24N6O/c1-25-19-17(13-24-25)18(22-14-23-19)21-12-15-6-8-16(9-7-15)20(27)26-10-4-2-3-5-11-26/h6-9,13-14H,2-5,10-12H2,1H3,(H,21,22,23)