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Details

Stereochemistry ACHIRAL
Molecular Formula C4H7N5.H2O4S
Molecular Weight 223.21
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5,6-Triaminopyrimidine sulfate

SMILES

OS(O)(=O)=O.NC1=NC=NC(N)=C1N

InChI

InChIKey=RKJICTKHLYLPLY-UHFFFAOYSA-N
InChI=1S/C4H7N5.H2O4S/c5-2-3(6)8-1-9-4(2)7;1-5(2,3)4/h1H,5H2,(H4,6,7,8,9);(H2,1,2,3,4)

HIDE SMILES / InChI

Molecular Formula C4H7N5
Molecular Weight 125.1319
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula H2O4S
Molecular Weight 98.078
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 19:56:48 GMT 2025
Edited
by admin
on Tue Apr 01 19:56:48 GMT 2025
Record UNII
X2785VA26W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5,6-Triaminopyrimidine sulfate
Systematic Name English
NSC-49184
Preferred Name English
Pyrimidine-4,5,6-triamine sulphate (1:1)
Systematic Name English
Pyrimidine-4,5,6-triamine sulfate (1:1)
Systematic Name English
4,5,6-Triaminopyrimidine sulphate
Systematic Name English
4,5,6-Pyrimidinetriamine, sulphate (1:1)
Systematic Name English
4,5,6-Pyrimidinetriamine, sulfate (1:1)
Systematic Name English
Code System Code Type Description
NSC
49184
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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CAS
49721-45-1
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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PUBCHEM
111544
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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ECHA (EC/EINECS)
256-446-3
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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FDA UNII
X2785VA26W
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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EPA CompTox
DTXSID90885904
Created by admin on Tue Apr 01 19:56:48 GMT 2025 , Edited by admin on Tue Apr 01 19:56:48 GMT 2025
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