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

Systemtic Name: (1S,2S,3S,5R)-3-(2-hydroxyethyloxy)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-[3,3,3-tris(fluoranyl)propylsulfanyl]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Openeye Name: (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-(3,3,3-trifluoropropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol CAS Name: (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-(3,3,3-trifluoropropylthio)-3-triazolo[4,5-d]pyrimidinyl]cyclopentane-1,2-diol IUPAC Name: (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-(3,3,3-trifluoropropylsulfanyl)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Traditional Name: (1S,2S,3S,5R)-3-(2-hydroxyethoxy)-5-[7-[[(1R,2S)-2-phenylcyclopropyl]amino]-5-(3,3,3-trifluoropropylthio)triazolo[4,5-d]pyrimidin-3-yl]cyclopentane-1,2-diol Formula: C23H27F3N6O4S MolecularWeight: 540.55849

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C1NC2=NC(=NC3=C2N=NN3C4CC(C(C4O)O)OCCO)SCCC(F)(F)F)C5=CC=CC=C5

Isomeric SMILES

C1[C@H]([C@@H]1NC2=NC(=NC3=C2N=NN3[C@@H]4C[C@@H]([C@H]([C@H]4O)O)OCCO)SCCC(F)(F)F)C5=CC=CC=C5

InChI

InChI=1S/C23H27F3N6O4S/c24-23(25,26)6-9-37-22-28-20(27-14-10-13(14)12-4-2-1-3-5-12)17-21(29-22)32(31-30-17)15-11-16(36-8-7-33)19(35)18(15)34/h1-5,13-16,18-19,33-35H,6-11H2,(H,27,28,29)/t13-,14+,15+,16-,18-,19+/m0/s1