(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-[(R)-propylsulfinyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C23H28F2N6O5S
Molecular Weight	538.567
Optical Activity	UNSPECIFIED
Defined Stereocenters	7 / 7
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-[(R)-propylsulfinyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Structure Search

SMILES

CCC[S@@+]([O-])C1=NC(N[C@@H]2C[C@H]2C3=CC=C(F)C(F)=C3)=C4N=NN([C@@H]5C[C@H](OCCO)[C@@H](O)[C@H]5O)C4=N1

InChI

InChIKey=DXFXDCXSENDSIK-YRRICNIOSA-N

InChI=1S/C23H28F2N6O5S/c1-2-7-37(35)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(36-6-5-32)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+,37+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28F2N6O5S
Molecular Weight	538.567
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	7 / 7
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 19:23:11 GMT 2025` Edited by `admin` on `Wed Apr 02 19:23:11 GMT 2025`
Record UNII	M23C5ZW6EN
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1S,2S,3R,5S)-3-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-[(R)-propylsulfinyl]-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Preferred Name

English

Code System Code Type Description

FDA UNII

M23C5ZW6EN

Created by admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025

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CAS

2417798-14-0

Created by admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025

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PUBCHEM

169410073

Created by admin on Wed Apr 02 19:23:11 GMT 2025 , Edited by admin on Wed Apr 02 19:23:11 GMT 2025

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