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Details

Stereochemistry ACHIRAL
Molecular Formula C21H19N5O4S
Molecular Weight 437.472
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of S-516

SMILES

COC1=CC(=CC(OC)=C1OC)C(=O)C2=C(C=C(C=C2)C3=CSC(N)=N3)N4C=NC=N4

InChI

InChIKey=OJZSPKKXYGZDRQ-UHFFFAOYSA-N
InChI=1S/C21H19N5O4S/c1-28-17-7-13(8-18(29-2)20(17)30-3)19(27)14-5-4-12(15-9-31-21(22)25-15)6-16(14)26-11-23-10-24-26/h4-11H,1-3H3,(H2,22,25)

HIDE SMILES / InChI

Molecular Formula C21H19N5O4S
Molecular Weight 437.472
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 19:12:59 UTC 2023
Edited
by admin
on Sat Dec 16 19:12:59 UTC 2023
Record UNII
4RQB78ZFF4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
S-516
Code English
Methanone, [4-(2-amino-4-thiazolyl)-2-(1H-1,2,4-triazol-1-yl)phenyl](3,4,5-trimethoxyphenyl)-
Systematic Name English
S516
Code English
[4-(2-Amino-4-thiazolyl)-2-(1H-1,2,4-triazol-1-yl)phenyl](3,4,5-trimethoxyphenyl)methanone
Systematic Name English
Code System Code Type Description
CAS
1016543-77-3
Created by admin on Sat Dec 16 19:13:00 UTC 2023 , Edited by admin on Sat Dec 16 19:13:00 UTC 2023
PRIMARY
FDA UNII
4RQB78ZFF4
Created by admin on Sat Dec 16 19:13:00 UTC 2023 , Edited by admin on Sat Dec 16 19:13:00 UTC 2023
PRIMARY
PUBCHEM
46929538
Created by admin on Sat Dec 16 19:13:00 UTC 2023 , Edited by admin on Sat Dec 16 19:13:00 UTC 2023
PRIMARY
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