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Details

Stereochemistry ACHIRAL
Molecular Formula C24H24FN5OS.ClH
Molecular Weight 486.005
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of NNI-351 hydrochloride

SMILES

Cl.CCOC1=CC2=CC(C#N)=C(N=C2C=C1)N3CCCN(CC3)C(=S)NC4=CC=CC=C4F

InChI

InChIKey=DPOQYENNSSJHTJ-UHFFFAOYSA-N
InChI=1S/C24H24FN5OS.ClH/c1-2-31-19-8-9-21-17(15-19)14-18(16-26)23(27-21)29-10-5-11-30(13-12-29)24(32)28-22-7-4-3-6-20(22)25;/h3-4,6-9,14-15H,2,5,10-13H2,1H3,(H,28,32);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C24H24FN5OS
Molecular Weight 449.544
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 19:15:59 GMT 2023
Edited
by admin
on Sat Dec 16 19:15:59 GMT 2023
Record UNII
HN3S2R929C
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NNI-351 hydrochloride
Code English
1H-1,4-Diazepine-1-carbothioamide, 4-(3-cyano-6-ethoxy-2-quinolinyl)-N-(2-fluorophenyl)hexahydro-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
HN3S2R929C
Created by admin on Sat Dec 16 19:15:59 GMT 2023 , Edited by admin on Sat Dec 16 19:15:59 GMT 2023
PRIMARY
PUBCHEM
164512859
Created by admin on Sat Dec 16 19:15:59 GMT 2023 , Edited by admin on Sat Dec 16 19:15:59 GMT 2023
PRIMARY
CAS
2102208-91-1
Created by admin on Sat Dec 16 19:15:59 GMT 2023 , Edited by admin on Sat Dec 16 19:15:59 GMT 2023
PRIMARY
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