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

Details

Stereochemistry ACHIRAL
Molecular Formula C11H9N3O3S
Molecular Weight 263.272
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MERBARONE

SMILES

O=C(NC1=CC=CC=C1)C2C(=O)NC(=S)NC2=O

InChI

InChIKey=JARCFMKMOFFIGZ-UHFFFAOYSA-N
InChI=1S/C11H9N3O3S/c15-8(12-6-4-2-1-3-5-6)7-9(16)13-11(18)14-10(7)17/h1-5,7H,(H,12,15)(H2,13,14,16,17,18)

HIDE SMILES / InChI

Approval Year

Name Type Language
MERBARONE
Common Name English
NSC-336628
Code English
HEXAHYDRO-4,6-DIOXO-N-PHENYL-2-THIOXO-5-PYRIMIDINECARBOXAMIDE
Systematic Name English
5-PYRIMIDINECARBOXAMIDE, HEXAHYDRO-4,6-DIOXO-N-PHENYL-2-THIOXO-
Systematic Name English
Classification Tree Code System Code
NCI_THESAURUS C1968
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
Code System Code Type Description
EPA CompTox
DTXSID9031567
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
NSC
336628
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
NCI_THESAURUS
C1390
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
PUBCHEM
4990817
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
CAS
97534-21-9
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
FDA UNII
YWB9IF596V
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY
MESH
C045459
Created by admin on Fri Dec 15 15:50:20 GMT 2023 , Edited by admin on Fri Dec 15 15:50:20 GMT 2023
PRIMARY