U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C17H13N3O2
Molecular Weight 291.304
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of METHYL 3-(2-(IMIDAZO(1,2-B)PYRIDAZIN-3-YL)ETHYNYL)-4-METHYLBENZOATE

SMILES

COC(=O)C1=CC=C(C)C(=C1)C#CC2=CN=C3C=CC=NN23

InChI

InChIKey=WIKRCQCIGCKHMQ-UHFFFAOYSA-N
InChI=1S/C17H13N3O2/c1-12-5-6-14(17(21)22-2)10-13(12)7-8-15-11-18-16-4-3-9-19-20(15)16/h3-6,9-11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C17H13N3O2
Molecular Weight 291.304
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
9P4X5V9NGB
Record Status Validated (UNII)
Record Version