(1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-[3,4-bis(fluoranyl)phenyl]cyclopropyl]amino]-5-[3,3,3-tris(fluoranyl)propylsulfanyl]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-[3,4-bis(fluoranyl)phenyl]cyclopropyl]amino]-5-[3,3,3-tris(fluoranyl)propylsulfanyl]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(3,3,3-trifluoropropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(3,3,3-trifluoropropylthio)-3-triazolo[4,5-d]pyrimidinyl]-5-(hydroxymethyl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(3,3,3-trifluoropropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]-5-(hydroxymethyl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(3,3,3-trifluoropropylthio)triazolo[4,5-d]pyrimidin-3-yl]-5-methylol-cyclopentane-1,2-diol Formula: C22H23F5N6O3S MolecularWeight: 546.513436

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C(C(C1N2C3=C(C(=NC(=N3)SCCC(F)(F)F)NC4CC4C5=CC(=C(C=C5)F)F)N=N2)O)O)CO

Isomeric SMILES

C1[C@@H]([C@H]([C@H]([C@@H]1N2C3=C(C(=NC(=N3)SCCC(F)(F)F)N[C@@H]4C[C@H]4C5=CC(=C(C=C5)F)F)N=N2)O)O)CO

InChI

InChI=1S/C22H23F5N6O3S/c23-12-2-1-9(5-13(12)24)11-7-14(11)28-19-16-20(30-21(29-19)37-4-3-22(25,26)27)33(32-31-16)15-6-10(8-34)17(35)18(15)36/h1-2,5,10-11,14-15,17-18,34-36H,3-4,6-8H2,(H,28,29,30)/t10-,11+,14-,15-,17-,18+/m1/s1