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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H14N4O4
Molecular Weight 278.264
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of ETHYL-3-(2-CARBETHOXY-2-CYANOETHENYL)AMINO-1H-PYRAZOLE-4-CARBOXYLATE, (E)-

SMILES

CCOC(=O)C(=C\NC1=NNC=C1C(=O)OCC)\C#N

InChI

InChIKey=GMGGKDVJSPDXNB-SOFGYWHQSA-N
InChI=1S/C12H14N4O4/c1-3-19-11(17)8(5-13)6-14-10-9(7-15-16-10)12(18)20-4-2/h6-7H,3-4H2,1-2H3,(H2,14,15,16)/b8-6+

HIDE SMILES / InChI

Molecular Formula C12H14N4O4
Molecular Weight 278.264
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:10:59 GMT 2023
Edited
by admin
on Sat Dec 16 07:10:59 GMT 2023
Record UNII
TMU76O69XM
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ETHYL-3-(2-CARBETHOXY-2-CYANOETHENYL)AMINO-1H-PYRAZOLE-4-CARBOXYLATE, (E)-
Systematic Name English
1H-PYRAZOLE-4-CARBOXYLIC ACID, 3-((2-CYANO-3-ETHOXY-3-OXO-1-PROPENYL)AMINO)-, ETHYL ESTER, (E)-
Systematic Name English
ALLOPURINOL RELATED COMPOUND F, (E)-
Common Name English
Code System Code Type Description
PUBCHEM
736594
Created by admin on Sat Dec 16 07:10:59 GMT 2023 , Edited by admin on Sat Dec 16 07:10:59 GMT 2023
PRIMARY
FDA UNII
TMU76O69XM
Created by admin on Sat Dec 16 07:10:59 GMT 2023 , Edited by admin on Sat Dec 16 07:10:59 GMT 2023
PRIMARY
EPA CompTox
DTXSID30200612
Created by admin on Sat Dec 16 07:10:59 GMT 2023 , Edited by admin on Sat Dec 16 07:10:59 GMT 2023
PRIMARY
CAS
52632-17-4
Created by admin on Sat Dec 16 07:10:59 GMT 2023 , Edited by admin on Sat Dec 16 07:10:59 GMT 2023
PRIMARY