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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H20F6N8O2S
Molecular Weight 550.481
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ACT-777991

SMILES

CC1=NN(CC(=O)N2CCN(C[C@H]2CCO)C3=C(N=C(S3)C(F)(F)F)C4=CN=C(N=C4)C(F)(F)F)C=N1

InChI

InChIKey=FDZFVXKCJKOSRC-CYBMUJFWSA-N
InChI=1S/C20H20F6N8O2S/c1-11-29-10-33(31-11)9-14(36)34-4-3-32(8-13(34)2-5-35)16-15(30-18(37-16)20(24,25)26)12-6-27-17(28-7-12)19(21,22)23/h6-7,10,13,35H,2-5,8-9H2,1H3/t13-/m1/s1

HIDE SMILES / InChI

Approval Year

Name Type Language
ACT-777991
Code English
Ethanone, 1-[(2R)-2-(2-hydroxyethyl)-4-[2-(trifluoromethyl)-4-[2-(trifluoromethyl)-5-pyrimidinyl]-5-thiazolyl]-1-piperazinyl]-2-(3-methyl-1H-1,2,4-triazol-1-yl)-
Systematic Name English
Code System Code Type Description
FDA UNII
B5B6YF7GWT
Created by admin on Sat Dec 16 20:08:31 GMT 2023 , Edited by admin on Sat Dec 16 20:08:31 GMT 2023
PRIMARY
CAS
1967811-46-6
Created by admin on Sat Dec 16 20:08:31 GMT 2023 , Edited by admin on Sat Dec 16 20:08:31 GMT 2023
PRIMARY
PUBCHEM
121485701
Created by admin on Sat Dec 16 20:08:31 GMT 2023 , Edited by admin on Sat Dec 16 20:08:31 GMT 2023
PRIMARY