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Details

Stereochemistry ACHIRAL
Molecular Formula C13H12ClN3S
Molecular Weight 277.772
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-Chloro-2,3-dihydro-6-(methylthio)-1H-1,4-diazepino[6,5-c]quinoline

SMILES

CSC1=C2C=NCCNC2=C3C=CC(Cl)=CC3=N1

InChI

InChIKey=YYESKUBJYNVBHN-UHFFFAOYSA-N
InChI=1S/C13H12ClN3S/c1-18-13-10-7-15-4-5-16-12(10)9-3-2-8(14)6-11(9)17-13/h2-3,6-7,16H,4-5H2,1H3

HIDE SMILES / InChI

Molecular Formula C13H12ClN3S
Molecular Weight 277.772
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 12:38:01 GMT 2023
Edited
by admin
on Sat Dec 16 12:38:01 GMT 2023
Record UNII
DGS63A8SUY
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-Chloro-2,3-dihydro-6-(methylthio)-1H-1,4-diazepino[6,5-c]quinoline
Systematic Name English
1H-1,4-Diazepino[6,5-c]quinoline, 9-chloro-2,3-dihydro-6-(methylthio)-
Systematic Name English
NSC-302381
Code English
9-CHLORO-2,3-DIHYDRO-1H-(1,4)DIAZEPINO(6,5-C)QUINOLIN-6-YL METHYL SULFIDE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID60215799
Created by admin on Sat Dec 16 12:38:01 GMT 2023 , Edited by admin on Sat Dec 16 12:38:01 GMT 2023
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NSC
302381
Created by admin on Sat Dec 16 12:38:01 GMT 2023 , Edited by admin on Sat Dec 16 12:38:01 GMT 2023
PRIMARY
FDA UNII
DGS63A8SUY
Created by admin on Sat Dec 16 12:38:01 GMT 2023 , Edited by admin on Sat Dec 16 12:38:01 GMT 2023
PRIMARY
CAS
65482-47-5
Created by admin on Sat Dec 16 12:38:01 GMT 2023 , Edited by admin on Sat Dec 16 12:38:01 GMT 2023
PRIMARY
PUBCHEM
494224
Created by admin on Sat Dec 16 12:38:01 GMT 2023 , Edited by admin on Sat Dec 16 12:38:01 GMT 2023
PRIMARY