[7-[2,6-bis(fluoranyl)phenyl]-2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone

Systemtic Name: [7-[2,6-bis(fluoranyl)phenyl]-2-[[(2S)-3-methyl-3-oxidanyl-butan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone Openeye Name: [7-(2,6-difluorophenyl)-2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone CAS Name: [7-(2,6-difluorophenyl)-2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]-6-pyrrolo[2,3-d]pyrimidinyl]-(4-fluorophenyl)methanone IUPAC Name: [7-(2,6-difluorophenyl)-2-[[(2S)-3-hydroxy-3-methylbutan-2-yl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone Traditional Name: [7-(2,6-difluorophenyl)-2-[[(1S)-2-hydroxy-1,2-dimethyl-propyl]amino]pyrrolo[2,3-d]pyrimidin-6-yl]-(4-fluorophenyl)methanone Formula: C24H21F3N4O2 MolecularWeight: 454.44435

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(C)(C)O)NC1=NC=C2C=C(N(C2=N1)C3=C(C=CC=C3F)F)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C[C@@H](C(C)(C)O)NC1=NC=C2C=C(N(C2=N1)C3=C(C=CC=C3F)F)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H21F3N4O2/c1-13(24(2,3)33)29-23-28-12-15-11-19(21(32)14-7-9-16(25)10-8-14)31(22(15)30-23)20-17(26)5-4-6-18(20)27/h4-13,33H,1-3H3,(H,28,29,30)/t13-/m0/s1