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

Details

Stereochemistry ABSOLUTE
Molecular Formula C17H10Cl2N4O2
Molecular Weight 373.193
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of CLAZURIL, (S)-

SMILES

ClC1=CC=C(C=C1)[C@H](C#N)C2=CC=C(C=C2Cl)N3N=CC(=O)NC3=O

InChI

InChIKey=QUUTUGLQZLNABV-AWEZNQCLSA-N
InChI=1S/C17H10Cl2N4O2/c18-11-3-1-10(2-4-11)14(8-20)13-6-5-12(7-15(13)19)23-17(25)22-16(24)9-21-23/h1-7,9,14H,(H,22,24,25)/t14-/m0/s1

HIDE SMILES / InChI

Molecular Formula C17H10Cl2N4O2
Molecular Weight 373.193
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 11:15:39 GMT 2023
Edited
by admin
on Sat Dec 16 11:15:39 GMT 2023
Record UNII
C6369SNN9B
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CLAZURIL, (S)-
Common Name English
BENZENEACETONITRILE, 2-CHLORO-.ALPHA.-(4-CHLOROPHENYL)-4-(4,5-DIHYDRO-3,5-DIOXO-1,2,4-TRIAZIN-2(3H)-YL), (S)-
Systematic Name English
Code System Code Type Description
FDA UNII
C6369SNN9B
Created by admin on Sat Dec 16 11:15:39 GMT 2023 , Edited by admin on Sat Dec 16 11:15:39 GMT 2023
PRIMARY
PUBCHEM
76965079
Created by admin on Sat Dec 16 11:15:39 GMT 2023 , Edited by admin on Sat Dec 16 11:15:39 GMT 2023
PRIMARY
Related Record Type Details
RACEMATE -> ENANTIOMER