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

Details

Stereochemistry ABSOLUTE
Molecular Formula C22H20F2N8O2S
Molecular Weight 498.508
Optical Activity UNSPECIFIED
Defined Stereocenters 2 / 2
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NO_NAME

SMILES

[H][C@@]12CN(C[C@@]1(N=C(N)SC2)C3=CC(NC(=O)C4=NC=C(OC)N=C4)=CC=C3F)C5=NC=C(F)C=N5

InChI

InChIKey=VQSRKMNBWMHJKY-YTEVENLXSA-N
InChI=1S/C22H20F2N8O2S/c1-34-18-8-26-17(7-27-18)19(33)30-14-2-3-16(24)15(4-14)22-11-32(21-28-5-13(23)6-29-21)9-12(22)10-35-20(25)31-22/h2-8,12H,9-11H2,1H3,(H2,25,31)(H,30,33)/t12-,22-/m0/s1

HIDE SMILES / InChI

Approval Year

Code System Code Type Description
FDA UNII
1L8QUK35RX
Created by admin on Sat Dec 16 11:08:17 UTC 2023 , Edited by admin on Sat Dec 16 11:08:17 UTC 2023
PRIMARY
CAS
1628690-73-2
Created by admin on Sat Dec 16 11:08:17 UTC 2023 , Edited by admin on Sat Dec 16 11:08:17 UTC 2023
PRIMARY
PUBCHEM
78210254
Created by admin on Sat Dec 16 11:08:17 UTC 2023 , Edited by admin on Sat Dec 16 11:08:17 UTC 2023
PRIMARY