(1S,2S,3R,5S)-3-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Details

Stereochemistry	ABSOLUTE
Molecular Formula	C14H23ClN4O4S
Molecular Weight	378.875
Optical Activity	UNSPECIFIED
Defined Stereocenters	4 / 4
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of (1S,2S,3R,5S)-3-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]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)=C(N)C(Cl)=N1

InChI

InChIKey=FWGBZSJJCDADJP-YKDSUIRESA-N

InChI=1S/C14H23ClN4O4S/c1-2-5-24-14-18-12(15)9(16)13(19-14)17-7-6-8(23-4-3-20)11(22)10(7)21/h7-8,10-11,20-22H,2-6,16H2,1H3,(H,17,18,19)/t7-,8+,10+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula	C14H23ClN4O4S
Molecular Weight	378.875
Charge	0
Count

Stereochemistry	ABSOLUTE
Additional Stereochemistry	No
Defined Stereocenters	4 / 4
E/Z Centers	0
Optical Activity	UNSPECIFIED

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 14:30:24 GMT 2025` Edited by `admin` on `Wed Apr 02 14:30:24 GMT 2025`
Record UNII	L6PE88Y2Z9
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

(1S,2S,3R,5S)-3-[[5-Amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol

Systematic Name

English

Ticagrelor Related Compound 57

Preferred Name

English

1,2-Cyclopentanediol, 3-[[5-amino-6-chloro-2-(propylthio)-4-pyrimidinyl]amino]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-

Systematic Name

English

(1S,2S,3S,5R)-3-(2-Hydroxyethoxy)-5-[[5-amino-6-chloro-2-(propylthio)pyrimidin-4-yl]amino]cyclopentane-1,2-diol

Systematic Name

English

Code System Code Type Description

FDA UNII

L6PE88Y2Z9

Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025

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CAS

1402150-32-6

Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025

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PUBCHEM

71609773

Created by admin on Wed Apr 02 14:30:24 GMT 2025 , Edited by admin on Wed Apr 02 14:30:24 GMT 2025

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