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 C15H16BrN3S
Molecular Weight 350.277
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of HI-244

SMILES

CC1=CC=C(CCNC(=S)NC2=NC=C(Br)C=C2)C=C1

InChI

InChIKey=YDPLOGCASGLRQO-UHFFFAOYSA-N
InChI=1S/C15H16BrN3S/c1-11-2-4-12(5-3-11)8-9-17-15(20)19-14-7-6-13(16)10-18-14/h2-7,10H,8-9H2,1H3,(H2,17,18,19,20)

HIDE SMILES / InChI

Molecular Formula C15H16BrN3S
Molecular Weight 350.277
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
3X8QW8MSR7
Record Status Validated (UNII)
Record Version