(1R,2S,3R,5R)-3-[5-propylsulfanyl-7-[2,2,2-tris(fluoranyl)ethylamino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2H-1,2,3,4-tetrazol-5-yl)cyclopentane-1,2-diol

Systemtic Name: (1R,2S,3R,5R)-3-[5-propylsulfanyl-7-[2,2,2-tris(fluoranyl)ethylamino]-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2H-1,2,3,4-tetrazol-5-yl)cyclopentane-1,2-diol Openeye Name: (1R,2S,3R,5R)-3-[5-propylsulfanyl-7-(2,2,2-trifluoroethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(2H-tetrazol-5-yl)cyclopentane-1,2-diol CAS Name: (1R,2S,3R,5R)-3-[5-(propylthio)-7-(2,2,2-trifluoroethylamino)-3-triazolo[4,5-d]pyrimidinyl]-5-(2H-tetrazol-5-yl)cyclopentane-1,2-diol IUPAC Name: (1R,2S,3R,5R)-3-[5-propylsulfanyl-7-(2,2,2-trifluoroethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(2H-tetrazol-5-yl)cyclopentane-1,2-diol Traditional Name: (1R,2S,3R,5R)-3-[5-(propylthio)-7-(2,2,2-trifluoroethylamino)triazolo[4,5-d]pyrimidin-3-yl]-5-(2H-tetrazol-5-yl)cyclopentane-1,2-diol Formula: C15H19F3N10O2S MolecularWeight: 460.43737

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(C(=N1)NCC(F)(F)F)N=NN2C3CC(C(C3O)O)C4=NNN=N4

Isomeric SMILES

CCCSC1=NC2=C(C(=N1)NCC(F)(F)F)N=NN2[C@@H]3C[C@@H]([C@H]([C@H]3O)O)C4=NNN=N4

InChI

InChI=1S/C15H19F3N10O2S/c1-2-3-31-14-20-12(19-5-15(16,17)18)8-13(21-14)28(27-22-8)7-4-6(9(29)10(7)30)11-23-25-26-24-11/h6-7,9-10,29-30H,2-5H2,1H3,(H,19,20,21)(H,23,24,25,26)/t6-,7+,9+,10-/m0/s1