N-cyclopropyl-4-fluoranyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide

Systemtic Name: N-cyclopropyl-4-fluoranyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Openeye Name: N-cyclopropyl-4-fluoro-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide CAS Name: N-cyclopropyl-4-fluoro-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]benzamide IUPAC Name: N-cyclopropyl-4-fluoro-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Traditional Name: N-cyclopropyl-4-fluoro-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]benzamide Formula: C21H17FN6O MolecularWeight: 388.397683

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C2=CC(=C(C=C2)F)NC3=NC=NC4=C3C=NN4C5=CC=CC=C5

Isomeric SMILES

C1CC1NC(=O)C2=CC(=C(C=C2)F)NC3=NC=NC4=C3C=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H17FN6O/c22-17-9-6-13(21(29)26-14-7-8-14)10-18(17)27-19-16-11-25-28(20(16)24-12-23-19)15-4-2-1-3-5-15/h1-6,9-12,14H,7-8H2,(H,26,29)(H,23,24,27)