U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C13H11N5O6S
Molecular Weight 365.321
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate

SMILES

CCOC(=O)C1=CN=C(SC2=CC=C(C=C2[N+]([O-])=O)[N+]([O-])=O)N=C1N

InChI

InChIKey=GWECAEFYWYGWFM-UHFFFAOYSA-N
InChI=1S/C13H11N5O6S/c1-2-24-12(19)8-6-15-13(16-11(8)14)25-10-4-3-7(17(20)21)5-9(10)18(22)23/h3-6H,2H2,1H3,(H2,14,15,16)

HIDE SMILES / InChI

Molecular Formula C13H11N5O6S
Molecular Weight 365.321
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 12:57:12 GMT 2023
Edited
by admin
on Sat Dec 16 12:57:12 GMT 2023
Record UNII
UJ57K9CV8X
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Ethyl 4-amino-2-[(2,4-dinitrophenyl)sulfanyl]pyrimidine-5-carboxylate
Systematic Name English
5-Pyrimidinecarboxylicacid,4-amino-2-[(2,4-dinitrophenyl)thio]-,ethyl ester
Common Name English
ethyl 2-(2,4-dinitrophenyl)sulfanyl-4-imino-1H-pyrimidine-5-carboxylate
Systematic Name English
4-AMINO-2-((2,4-DINITROPHENYL)THIO)-, ETHYL ESTER, 5-PYRIMIDINECARBOXYLIC ACID
Common Name English
NSC-317864
Code English
5-PYRIMIDINECARBOXYLIC ACID, 4-AMINO-2-((2,4-DINITROPHENYL)THIO)-, ETHYL ESTER
Systematic Name English
Ethyl 4-amino-2-[(2,4-dinitrophenyl)thio]-5-pyrimidinecarboxylate
Systematic Name English
5-Pyrimidinecarboxylic acid, 4-amino-2-[(2,4-dinitrophenyl)thio]-, ethyl ester
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20226402
Created by admin on Sat Dec 16 12:57:12 GMT 2023 , Edited by admin on Sat Dec 16 12:57:12 GMT 2023
PRIMARY
FDA UNII
UJ57K9CV8X
Created by admin on Sat Dec 16 12:57:12 GMT 2023 , Edited by admin on Sat Dec 16 12:57:12 GMT 2023
PRIMARY
CAS
75464-92-5
Created by admin on Sat Dec 16 12:57:12 GMT 2023 , Edited by admin on Sat Dec 16 12:57:12 GMT 2023
PRIMARY
NSC
317864
Created by admin on Sat Dec 16 12:57:12 GMT 2023 , Edited by admin on Sat Dec 16 12:57:12 GMT 2023
PRIMARY
PUBCHEM
100547
Created by admin on Sat Dec 16 12:57:12 GMT 2023 , Edited by admin on Sat Dec 16 12:57:12 GMT 2023
PRIMARY