Try beta.chemspider
- 6 of 6 defined stereocentres
(1S,2S,3R,5S)-3-[7-{[(1R,2S)-2-(2,3-Difluorophenyl)cyclopropyl]amino}-5-(propylsulfanyl)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
C1(=CC=CC(=C1F)[C@H]2[C@@H](C2)NC3=NC(=NC4=C3N=NN4[C@H]5[C@@H]([C@@H]([C@H](C5)OCCO)O)O)SCCC)F CCCSC1N=C(N[C@@H]2C[C@H]2C2C=CC=C(F)C=2F)C2N=NN([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)C=2N=1
InChI=1S/C23H28F2N6O4S/c1-2-8-36-23-27-21(26-14-9-12(14)11-4-3-5-13(24)17(11)25)18-22(28-23)31(30-29-18)15-10-16(35-7-6-32)20(34)19(15)33/h3-5,12,14-16,19-20,32-34H,2,6-10H2,1H3,(H,26,27,28)/t12-,14+,15+,16-,19-,20+/m0/s1
LRERWNWIRJOJAN-QXZAJCAHSA-N
CSID:73987230, http://www.chemspider.com/Chemical-Structure.73987230.html (accessed 17:04, Apr 26, 2024)
Validated by Experts, Validated by Users, Non-Validated, Removed by Users
Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00
Click to predict properties on the Chemicalize site
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