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Details

Stereochemistry ACHIRAL
Molecular Formula C14H15N5O3S
Molecular Weight 333.366
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CI-959 FREE ACID

SMILES

COC1=CC2=C(SC(C(=O)NC3=NN=NN3)=C2OC(C)C)C=C1

InChI

InChIKey=TVVXHFWWAYXBNC-UHFFFAOYSA-N
InChI=1S/C14H15N5O3S/c1-7(2)22-11-9-6-8(21-3)4-5-10(9)23-12(11)13(20)15-14-16-18-19-17-14/h4-7H,1-3H3,(H2,15,16,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula C14H15N5O3S
Molecular Weight 333.366
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 08:01:58 GMT 2023
Edited
by admin
on Sat Dec 16 08:01:58 GMT 2023
Record UNII
Y8M8A93SU8
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CI-959 FREE ACID
Common Name English
5-METHOXY-3-(PROPAN-2-YLOXY)-N-(1H-TETRAZOL-5-YL)-1-BENZOTHIOPHENE-2-CARBOXAMIDE
Systematic Name English
BENZO(B)THIOPHENE-2-CARBOXAMIDE, 5-METHOXY-3-(1-METHYLETHOXY)-N-2H-TETRAZOL-5-YL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID3047269
Created by admin on Sat Dec 16 08:01:58 GMT 2023 , Edited by admin on Sat Dec 16 08:01:58 GMT 2023
PRIMARY
CAS
104795-66-6
Created by admin on Sat Dec 16 08:01:58 GMT 2023 , Edited by admin on Sat Dec 16 08:01:58 GMT 2023
PRIMARY
PUBCHEM
159289
Created by admin on Sat Dec 16 08:01:58 GMT 2023 , Edited by admin on Sat Dec 16 08:01:58 GMT 2023
PRIMARY
FDA UNII
Y8M8A93SU8
Created by admin on Sat Dec 16 08:01:58 GMT 2023 , Edited by admin on Sat Dec 16 08:01:58 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY