U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ABSOLUTE
Molecular Formula C13H15N3O4S
Molecular Weight 309.341
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2′-Deoxy-5-(2-thienyl)cytidine

SMILES

NC1=NC(=O)N(C=C1C2=CC=CS2)[C@H]3C[C@H](O)[C@@H](CO)O3

InChI

InChIKey=XGDYHDVQDBZPGC-IQJOONFLSA-N
InChI=1S/C13H15N3O4S/c14-12-7(10-2-1-3-21-10)5-16(13(19)15-12)11-4-8(18)9(6-17)20-11/h1-3,5,8-9,11,17-18H,4,6H2,(H2,14,15,19)/t8-,9+,11+/m0/s1

HIDE SMILES / InChI

Molecular Formula C13H15N3O4S
Molecular Weight 309.341
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 3 / 3
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:32 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:32 GMT 2023
Record UNII
9L3MHF9FHK
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2′-Deoxy-5-(2-thienyl)cytidine
Common Name English
4-amino-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-(thiophen-2-yl)-1,2-dihydropyrimidin-2-one
Systematic Name English
Cytidine, 2′-deoxy-5-(2-thienyl)-
Common Name English
5-(2-Thienyl)-2′-deoxycytidine
Common Name English
4-AMINO-1-(4-HYDROXY-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-2-YL)-5-THIOPHEN-2-YL-1H-PYRIMIDIN-2-ONE
Systematic Name English
Code System Code Type Description
CAS
134333-67-8
Created by admin on Sat Dec 16 19:47:32 GMT 2023 , Edited by admin on Sat Dec 16 19:47:32 GMT 2023
PRIMARY
EPA CompTox
DTXSID60928574
Created by admin on Sat Dec 16 19:47:32 GMT 2023 , Edited by admin on Sat Dec 16 19:47:32 GMT 2023
PRIMARY
PUBCHEM
512325
Created by admin on Sat Dec 16 19:47:32 GMT 2023 , Edited by admin on Sat Dec 16 19:47:32 GMT 2023
PRIMARY
FDA UNII
9L3MHF9FHK
Created by admin on Sat Dec 16 19:47:32 GMT 2023 , Edited by admin on Sat Dec 16 19:47:32 GMT 2023
PRIMARY