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Details

Stereochemistry ABSOLUTE
Molecular Formula C14H20ClN5O4S
Molecular Weight 389.858
Optical Activity UNSPECIFIED
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol, (1S,2S,3R,5S)-

SMILES

CCCSC1=NC(Cl)=C2N=NN([C@@H]3C[C@H](OCCO)[C@@H](O)[C@H]3O)C2=N1

InChI

InChIKey=OPHFHASJVWECNO-YKDSUIRESA-N
InChI=1S/C14H20ClN5O4S/c1-2-5-25-14-16-12(15)9-13(17-14)20(19-18-9)7-6-8(24-4-3-21)11(23)10(7)22/h7-8,10-11,21-23H,2-6H2,1H3/t7-,8+,10+,11-/m1/s1

HIDE SMILES / InChI

Molecular Formula C14H20ClN5O4S
Molecular Weight 389.858
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 Sat Dec 16 19:36:31 GMT 2023
Edited
by admin
on Sat Dec 16 19:36:31 GMT 2023
Record UNII
XVL2FS6C48
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol, (1S,2S,3R,5S)-
Systematic Name English
1,2-Cyclopentanediol, 3-[7-chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-, (1S,2S,3R,5S)-
Systematic Name English
(1S,2S,3R,5S)-3-[7-Chloro-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-5-(2-hydroxyethoxy)-1,2-cyclopentanediol
Systematic Name English
Code System Code Type Description
FDA UNII
XVL2FS6C48
Created by admin on Sat Dec 16 19:36:31 GMT 2023 , Edited by admin on Sat Dec 16 19:36:31 GMT 2023
PRIMARY
CAS
2248538-63-6
Created by admin on Sat Dec 16 19:36:31 GMT 2023 , Edited by admin on Sat Dec 16 19:36:31 GMT 2023
PRIMARY
PUBCHEM
71609809
Created by admin on Sat Dec 16 19:36:31 GMT 2023 , Edited by admin on Sat Dec 16 19:36:31 GMT 2023
PRIMARY