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Details

Stereochemistry ACHIRAL
Molecular Formula C8H11N3O2S
Molecular Weight 213.257
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-(2-AMINO-4-MERCAPTO-6-METHYL-5-PYRIMIDINYL)PROPANOIC ACID

SMILES

CC1=C(CCC(O)=O)C(S)=NC(N)=N1

InChI

InChIKey=JJOFZKIXHUDVKL-UHFFFAOYSA-N
InChI=1S/C8H11N3O2S/c1-4-5(2-3-6(12)13)7(14)11-8(9)10-4/h2-3H2,1H3,(H,12,13)(H3,9,10,11,14)

HIDE SMILES / InChI

Molecular Formula C8H11N3O2S
Molecular Weight 213.257
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 Sat Dec 16 12:58:48 GMT 2023
Edited
by admin
on Sat Dec 16 12:58:48 GMT 2023
Record UNII
3V07D4LF1N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-(2-AMINO-4-MERCAPTO-6-METHYL-5-PYRIMIDINYL)PROPANOIC ACID
Systematic Name English
5-PYRIMIDINEPROPANOIC ACID, 2-AMINO-1,6-DIHYDRO-4-METHYL-6-THIOXO-
Systematic Name English
NSC-97918
Code English
5-PYRIMIDINEPROPIONIC ACID, 2-AMINO-4-MERCAPTO-6-METHYL-
Systematic Name English
2-AMINO-1,6-DIHYDRO-4-METHYL-6-THIOXO-5-PYRIMIDINEPROPANOIC ACID
Systematic Name English
Code System Code Type Description
FDA UNII
3V07D4LF1N
Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023
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CAS
1079-42-1
Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023
PRIMARY
EPA CompTox
DTXSID10148321
Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023
PRIMARY
PUBCHEM
3003821
Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023
PRIMARY
NSC
97918
Created by admin on Sat Dec 16 12:58:48 GMT 2023 , Edited by admin on Sat Dec 16 12:58:48 GMT 2023
PRIMARY