2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C26H32F2N6O4S
Molecular Weight	562.632
Optical Activity	UNSPECIFIED
Defined Stereocenters	6 / 6
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

Structure Search

SMILES

CCCSC1=NC2=C(N=NN2[C@@H]3C[C@H](OCCO)[C@H]4OC(C)(C)O[C@@H]34)C(N[C@@H]5C[C@H]5C6=CC=C(F)C(F)=C6)=N1

InChI

InChIKey=WLEOHEIRUFTYCF-FYEBJQQMSA-N

InChI=1S/C26H32F2N6O4S/c1-4-9-39-25-30-23(29-17-11-14(17)13-5-6-15(27)16(28)10-13)20-24(31-25)34(33-32-20)18-12-19(36-8-7-35)22-21(18)37-26(2,3)38-22/h5-6,10,14,17-19,21-22,35H,4,7-9,11-12H2,1-3H3,(H,29,30,31)/t14-,17+,18+,19-,21-,22+/m0/s1

HIDE SMILES / InChI

Molecular Formula	C26H32F2N6O4S
Molecular Weight	562.632
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 `Wed Apr 02 11:54:52 GMT 2025` Edited by `admin` on `Wed Apr 02 11:54:52 GMT 2025`
Record UNII	62GT6PT8T6
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

2-[[(3aS,4R,6S,6aa)-4-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidin-3-yl]-2,2-dimethyl-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-6-yl]oxy]ethanol

Preferred Name

English

2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-Difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]ethanol

Systematic Name

English

Ethanol, 2-[[(3aR,4S,6R,6aS)-6-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]tetrahydro-2,2-dimethyl-4H-cyclopenta-1,3-dioxol-4-yl]oxy]-

Systematic Name

English

Code System Code Type Description

CAS

274693-26-4

Created by admin on Wed Apr 02 11:54:52 GMT 2025 , Edited by admin on Wed Apr 02 11:54:52 GMT 2025

PRIMARY

FDA UNII

62GT6PT8T6

Created by admin on Wed Apr 02 11:54:52 GMT 2025 , Edited by admin on Wed Apr 02 11:54:52 GMT 2025

PRIMARY

PUBCHEM

67289290

Created by admin on Wed Apr 02 11:54:52 GMT 2025 , Edited by admin on Wed Apr 02 11:54:52 GMT 2025

PRIMARY

CAS

1215268-18-0

Created by admin on Wed Apr 02 11:54:52 GMT 2025 , Edited by admin on Wed Apr 02 11:54:52 GMT 2025

SUPERSEDED