Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C23H28F2N6O4S |
| Molecular Weight | 522.568 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 6 / 6 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CCCSC1=NC2=C(N=NN2[C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)C(N[C@H]4C[C@@H]4C5=CC=C(F)C(F)=C5)=N1
InChI
InChIKey=OEKWJQXRCDYSHL-KCODXIBCSA-N
InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-9-12(15)11-3-4-13(24)14(25)8-11)18-22(28-23)31(30-29-18)16-10-17(35-6-5-32)20(34)19(16)33/h3-4,8,12,15-17,19-20,32-34H,2,5-7,9-10H2,1H3,(H,26,27,28)/t12-,15+,16-,17+,19+,20-/m1/s1
Approval Year
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Preferred Name | English | ||
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Systematic Name | English |
| Code System | Code | Type | Description | ||
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VVC9YC2X6Q
Created by
admin on Wed Apr 02 15:45:55 GMT 2025 , Edited by admin on Wed Apr 02 15:45:55 GMT 2025
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78358264
Created by
admin on Wed Apr 02 15:45:55 GMT 2025 , Edited by admin on Wed Apr 02 15:45:55 GMT 2025
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2096989-56-7
Created by
admin on Wed Apr 02 15:45:55 GMT 2025 , Edited by admin on Wed Apr 02 15:45:55 GMT 2025
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PRIMARY |
![Structure of (1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol](/img/bccfb87a-a679-4271-bb05-309c537e876d.svg "Structure of (1S,2S,3R,5S)-3-[7-[[(1S,2R)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol")