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

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

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

Structure Search

SMILES

CCCSC1=NC(N[C@@H]2C[C@H](OCCO)[C@@H](O)[C@H]2O)=C3N=NN([C@@H]4C[C@H]4C5=CC(F)=C(F)C=C5)C3=N1

InChI

InChIKey=TUIWICWAOCUWJD-FNOIDJSQSA-N

InChI=1S/C23H28F2N6O4S/c1-2-7-36-23-27-21(26-15-10-17(35-6-5-32)20(34)19(15)33)18-22(28-23)31(30-29-18)16-9-12(16)11-3-4-13(24)14(25)8-11/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+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C23H28F2N6O4S
Molecular Weight	522.568
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	6 / 6
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:44:20 GMT 2023` Edited by `admin` on `Sat Dec 16 18:44:20 GMT 2023`
Record UNII	32K3H22EG7
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

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

Systematic Name

English

1,2-Cyclopentanediol, 3-[[3-[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-7-yl]amino]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

Systematic Name

English

Code System Code Type Description

PUBCHEM

91810732

Created by admin on Sat Dec 16 18:44:20 GMT 2023 , Edited by admin on Sat Dec 16 18:44:20 GMT 2023

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FDA UNII

32K3H22EG7

Created by admin on Sat Dec 16 18:44:20 GMT 2023 , Edited by admin on Sat Dec 16 18:44:20 GMT 2023

PRIMARY