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Details

Stereochemistry ACHIRAL
Molecular Formula C12H12ClN5O2
Molecular Weight 293.709
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-(4-CHLORO-3-NITROPHENYL)-6-ETHYLPYRIMIDINE-2,4-DIAMINE

SMILES

CCC1=C(C(N)=NC(N)=N1)C2=CC(=C(Cl)C=C2)[N+]([O-])=O

InChI

InChIKey=JUUBFXIMFOJFOF-UHFFFAOYSA-N
InChI=1S/C12H12ClN5O2/c1-2-8-10(11(14)17-12(15)16-8)6-3-4-7(13)9(5-6)18(19)20/h3-5H,2H2,1H3,(H4,14,15,16,17)

HIDE SMILES / InChI

Molecular Formula C12H12ClN5O2
Molecular Weight 293.709
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 12:36:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:36:13 GMT 2023
Record UNII
UQ4SV9X6J6
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-(4-CHLORO-3-NITROPHENYL)-6-ETHYLPYRIMIDINE-2,4-DIAMINE
Systematic Name English
NSC-302325
Code English
5-(4-CHLORO-3-NITROPHENYL)-6-ETHYL-2,4-PYRIMIDINEDIAMINE
Systematic Name English
2,4-PYRIMIDINEDIAMINE, 5-(4-CHLORO-3-NITROPHENYL)-6-ETHYL-
Systematic Name English
2,4-DIAMINO-5-(3-AMINO-4-CHLORO-5-NITROPHENYL)-6-ETHYLPYRIMIDINE
Systematic Name English
Code System Code Type Description
NSC
302325
Created by admin on Sat Dec 16 12:36:13 GMT 2023 , Edited by admin on Sat Dec 16 12:36:13 GMT 2023
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EPA CompTox
DTXSID30176227
Created by admin on Sat Dec 16 12:36:13 GMT 2023 , Edited by admin on Sat Dec 16 12:36:13 GMT 2023
PRIMARY
CAS
21813-35-4
Created by admin on Sat Dec 16 12:36:13 GMT 2023 , Edited by admin on Sat Dec 16 12:36:13 GMT 2023
PRIMARY
PUBCHEM
327404
Created by admin on Sat Dec 16 12:36:13 GMT 2023 , Edited by admin on Sat Dec 16 12:36:13 GMT 2023
PRIMARY
FDA UNII
UQ4SV9X6J6
Created by admin on Sat Dec 16 12:36:13 GMT 2023 , Edited by admin on Sat Dec 16 12:36:13 GMT 2023
PRIMARY