N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide

Systemtic Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide Openeye Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide CAS Name: N-[3-[[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]methyl]phenyl]cyclobutanecarboxamide IUPAC Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide Traditional Name: N-[3-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]phenyl]cyclobutanecarboxamide Formula: C23H22N6O MolecularWeight: 398.46038

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CC(C1)C(=O)NC2=CC=CC(=C2)CNC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C23H22N6O/c30-23(17-7-5-8-17)28-18-9-4-6-16(12-18)13-24-21-20-14-27-29(22(20)26-15-25-21)19-10-2-1-3-11-19/h1-4,6,9-12,14-15,17H,5,7-8,13H2,(H,28,30)(H,24,25,26)