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Details

Stereochemistry RACEMIC
Molecular Formula C10H15N7O3
Molecular Weight 281.2712
Optical Activity ( + / - )
Defined Stereocenters 4 / 4
E/Z Centers 0
Charge 0

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

SMILES

NC1=NC(N)=C2N=NN([C@@H]3C[C@H](CO)[C@H](O)[C@H]3O)C2=N1

InChI

InChIKey=XANFJHGCOJYBCQ-SOWDYBQPSA-N
InChI=1S/C10H15N7O3/c11-8-5-9(14-10(12)13-8)17(16-15-5)4-1-3(2-18)6(19)7(4)20/h3-4,6-7,18-20H,1-2H2,(H4,11,12,13,14)/t3-,4-,6+,7+/m1/s1

HIDE SMILES / InChI

Molecular Formula C10H15N7O3
Molecular Weight 281.2712
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 10:30:34 GMT 2023
Edited
by admin
on Sat Dec 16 10:30:34 GMT 2023
Record UNII
NH5EVR2M96
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(5,7-Diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol, (1R,2R,3S,5S)-rel-
Systematic Name English
rel-(1R,2R,3S,5S)-3-(5,7-Diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-1,2-cyclopentanediol
Systematic Name English
1,2-Cyclopentanediol, 3-(5,7-diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-, (1α,2β,3α,5α)-(±)-
Systematic Name English
1,2-Cyclopentanediol, 3-(5,7-diamino-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl)-5-(hydroxymethyl)-, (1R,2R,3S,5S)-rel-
Systematic Name English
Code System Code Type Description
FDA UNII
NH5EVR2M96
Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023
PRIMARY
EPA CompTox
DTXSID90910866
Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023
PRIMARY
PUBCHEM
5272154
Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023
PRIMARY
CAS
108742-13-8
Created by admin on Sat Dec 16 10:30:34 GMT 2023 , Edited by admin on Sat Dec 16 10:30:34 GMT 2023
PRIMARY