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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15N5O2
Molecular Weight 261.2798
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoic acid

SMILES

CC1(C)N=C(N)N=C(N)N1C2=CC=C(C=C2)C(O)=O

InChI

InChIKey=QKMLSYAKMRHXSS-UHFFFAOYSA-N
InChI=1S/C12H15N5O2/c1-12(2)16-10(13)15-11(14)17(12)8-5-3-7(4-6-8)9(18)19/h3-6H,1-2H3,(H,18,19)(H4,13,14,15,16)

HIDE SMILES / InChI

Approval Year

Unknown
149124
Name Type Language
4-(4,6-Diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl)benzoic acid
Systematic Name English
NSC-3075
Preferred Name English
Benzoic acid, 4-(4,6-diamino-2,2-dimethyl-1,3,5-triazin-1(2H)-yl-)-
Systematic Name English
Benzoic acid, p-(4,6-diamino-2,2-dimethyl-s-triazin-1(2H)-yl)-
Systematic Name English
Code System Code Type Description
FDA UNII
J5JC92Z6XW
Created by admin on Tue Apr 01 19:56:06 GMT 2025 , Edited by admin on Tue Apr 01 19:56:06 GMT 2025
PRIMARY
PUBCHEM
407230
Created by admin on Tue Apr 01 19:56:06 GMT 2025 , Edited by admin on Tue Apr 01 19:56:06 GMT 2025
PRIMARY
CAS
14484-50-5
Created by admin on Tue Apr 01 19:56:06 GMT 2025 , Edited by admin on Tue Apr 01 19:56:06 GMT 2025
PRIMARY
EPA CompTox
DTXSID00162819
Created by admin on Tue Apr 01 19:56:06 GMT 2025 , Edited by admin on Tue Apr 01 19:56:06 GMT 2025
PRIMARY
NSC
3075
Created by admin on Tue Apr 01 19:56:06 GMT 2025 , Edited by admin on Tue Apr 01 19:56:06 GMT 2025
PRIMARY
NIH
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