N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzamide

Systemtic Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzamide Openeye Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzamide CAS Name: N-cyclopropyl-3-[(1-phenyl-4-pyrazolo[3,4-d]pyrimidinyl)amino]-5-(trifluoromethyl)benzamide IUPAC Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzamide Traditional Name: N-cyclopropyl-3-[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]-5-(trifluoromethyl)benzamide Formula: C22H17F3N6O MolecularWeight: 438.40519

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N6O/c23-22(24,25)14-8-13(21(32)30-15-6-7-15)9-16(10-14)29-19-18-11-28-31(20(18)27-12-26-19)17-4-2-1-3-5-17/h1-5,8-12,15H,6-7H2,(H,30,32)(H,26,27,29)