(1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide

Systemtic Name: (1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,3-bis(oxidanyl)cyclopentane-1-carboxamide Openeye Name: (1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyl-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide CAS Name: (1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[[4-(trifluoromethyl)phenyl]thio]-3-triazolo[4,5-d]pyrimidinyl]-2,3-dihydroxy-1-cyclopentanecarboxamide IUPAC Name: (1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[4-(trifluoromethyl)phenyl]sulfanyltriazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentane-1-carboxamide Traditional Name: (1S,2R,3S,4R)-4-[7-(cyclopropylamino)-5-[[4-(trifluoromethyl)phenyl]thio]triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxy-cyclopentanecarboxamide Formula: C20H20F3N7O3S MolecularWeight: 495.47811

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC3=C2N=NN3C4CC(C(C4O)O)C(=O)N)SC5=CC=C(C=C5)C(F)(F)F

Isomeric SMILES

C1CC1NC2=NC(=NC3=C2N=NN3[C@@H]4C[C@@H]([C@H]([C@H]4O)O)C(=O)N)SC5=CC=C(C=C5)C(F)(F)F

InChI

InChI=1S/C20H20F3N7O3S/c21-20(22,23)8-1-5-10(6-2-8)34-19-26-17(25-9-3-4-9)13-18(27-19)30(29-28-13)12-7-11(16(24)33)14(31)15(12)32/h1-2,5-6,9,11-12,14-15,31-32H,3-4,7H2,(H2,24,33)(H,25,26,27)/t11-,12+,14+,15-/m0/s1