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Details

Stereochemistry ABSOLUTE
Molecular Formula C12H15N5O4
Molecular Weight 293.2786
Optical Activity UNSPECIFIED
Defined Stereocenters 3 / 3
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3′-Deoxy-3′-(1H-1,2,3-triazol-1-yl)thymidine

SMILES

CC1=CN([C@H]2C[C@@H]([C@@H](CO)O2)N3C=CN=N3)C(=O)NC1=O

InChI

InChIKey=CPWUCLYZTKEZPT-IVZWLZJFSA-N
InChI=1S/C12H15N5O4/c1-7-5-16(12(20)14-11(7)19)10-4-8(9(6-18)21-10)17-3-2-13-15-17/h2-3,5,8-10,18H,4,6H2,1H3,(H,14,19,20)/t8-,9+,10+/m0/s1

HIDE SMILES / InChI

Molecular Formula C12H15N5O4
Molecular Weight 293.2786
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 16:40:51 GMT 2023
Edited
by admin
on Sat Dec 16 16:40:51 GMT 2023
Record UNII
N7HZ7XDP9P
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3′-Deoxy-3′-(1H-1,2,3-triazol-1-yl)thymidine
Common Name English
1-[(2R,4S,5S)-5-(hydroxymethyl)-4-(1H-1,2,3-triazol-1-yl)oxolan-2-yl]-5-methyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
Systematic Name English
Thymidine, 3′-deoxy-3′-(1H-1,2,3-triazol-1-yl)-
Common Name English
Code System Code Type Description
CAS
122370-58-5
Created by admin on Sat Dec 16 16:40:51 GMT 2023 , Edited by admin on Sat Dec 16 16:40:51 GMT 2023
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FDA UNII
N7HZ7XDP9P
Created by admin on Sat Dec 16 16:40:51 GMT 2023 , Edited by admin on Sat Dec 16 16:40:51 GMT 2023
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PUBCHEM
452142
Created by admin on Sat Dec 16 16:40:51 GMT 2023 , Edited by admin on Sat Dec 16 16:40:51 GMT 2023
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EPA CompTox
DTXSID60153586
Created by admin on Sat Dec 16 16:40:51 GMT 2023 , Edited by admin on Sat Dec 16 16:40:51 GMT 2023
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