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Details

Stereochemistry ACHIRAL
Molecular Formula C12H9N3OS
Molecular Weight 243.284
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of BU-99006

SMILES

S=C=NC1=CC=C2OC(=CC2=C1)C3=NCCN3

InChI

InChIKey=RUDBUHTXVGVWTA-UHFFFAOYSA-N
InChI=1S/C12H9N3OS/c17-7-15-9-1-2-10-8(5-9)6-11(16-10)12-13-3-4-14-12/h1-2,5-6H,3-4H2,(H,13,14)

HIDE SMILES / InChI

Molecular Formula C12H9N3OS
Molecular Weight 243.284
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 08:31:01 GMT 2023
Edited
by admin
on Sat Dec 16 08:31:01 GMT 2023
Record UNII
GT94MI8EW8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BU-99006
Common Name English
1H-IMIDAZOLE, 4,5-DIHYDRO-2-(5-ISOTHIOCYANATO-2-BENZOFURANYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID30181275
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
FDA UNII
GT94MI8EW8
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
CAS
267644-51-9
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
PUBCHEM
10444453
Created by admin on Sat Dec 16 08:31:01 GMT 2023 , Edited by admin on Sat Dec 16 08:31:01 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY