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Details

Stereochemistry ACHIRAL
Molecular Formula C5H5N5OS
Molecular Weight 183.191
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-Amino-1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one

SMILES

NC1=NC2=C(NC(=S)N2)C(=O)N1

InChI

InChIKey=JHEKNTQSGTVPAO-UHFFFAOYSA-N
InChI=1S/C5H5N5OS/c6-4-8-2-1(3(11)10-4)7-5(12)9-2/h(H5,6,7,8,9,10,11,12)

HIDE SMILES / InChI

Molecular Formula C5H5N5OS
Molecular Weight 183.191
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 19:20:19 GMT 2025
Edited
by admin
on Tue Apr 01 19:20:19 GMT 2025
Record UNII
XE4J534EF3
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-Amino-1,7,8,9-tetrahydro-8-thioxo-6H-purin-6-one
Systematic Name English
2-Amino-1,7,8,9-tetrahydro-2-thioxo-6H-purin-6-one
Preferred Name English
6H-Purin-6-one, 2-amino-1,7,8,9-tetrahydro-8-thioxo-
Systematic Name English
NSC-29188
Code English
Code System Code Type Description
ECHA (EC/EINECS)
228-686-9
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY
CAS
6324-72-7
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY
FDA UNII
XE4J534EF3
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY
NSC
29188
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY
EPA CompTox
DTXSID50212631
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY
PUBCHEM
2725005
Created by admin on Tue Apr 01 19:20:19 GMT 2025 , Edited by admin on Tue Apr 01 19:20:19 GMT 2025
PRIMARY