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

Details

Stereochemistry ACHIRAL
Molecular Formula C22H19N5.2CH4O3S
Molecular Weight 545.631
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of FR-260010

SMILES

CS(O)(=O)=O.CS(O)(=O)=O.CC1=CN(C=N1)C2=CC(NC3=C4CCC5=CC=CC=C5C4=NC=N3)=CC=C2

InChI

InChIKey=FIALJWYFHPSUQM-UHFFFAOYSA-N
InChI=1S/C22H19N5.2CH4O3S/c1-15-12-27(14-25-15)18-7-4-6-17(11-18)26-22-20-10-9-16-5-2-3-8-19(16)21(20)23-13-24-22;2*1-5(2,3)4/h2-8,11-14H,9-10H2,1H3,(H,23,24,26);2*1H3,(H,2,3,4)

HIDE SMILES / InChI

Molecular Formula C22H19N5
Molecular Weight 353.4198
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula CH4O3S
Molecular Weight 96.106
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 18:49:40 GMT 2023
Edited
by admin
on Sat Dec 16 18:49:40 GMT 2023
Record UNII
V5UWD42WNS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
FR-260010
Code English
FR260010
Code English
BENZO(H)QUINAZOLIN-4-AMINE, 5,6-DIHYDRO-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)PHENYL)-, METHANESULFONATE (1:2)
Systematic Name English
BENZO(H)QUINAZOLIN-4-AMINE, 5,6-DIHYDRO-N-(3-(4-METHYL-1H-IMIDAZOL-1-YL)PHENYL)-, DIMETHANESULFONATE
Systematic Name English
Code System Code Type Description
CAS
374556-71-5
Created by admin on Sat Dec 16 18:49:40 GMT 2023 , Edited by admin on Sat Dec 16 18:49:40 GMT 2023
PRIMARY
FDA UNII
V5UWD42WNS
Created by admin on Sat Dec 16 18:49:40 GMT 2023 , Edited by admin on Sat Dec 16 18:49:40 GMT 2023
PRIMARY
PUBCHEM
10280656
Created by admin on Sat Dec 16 18:49:40 GMT 2023 , Edited by admin on Sat Dec 16 18:49:40 GMT 2023
PRIMARY
Related Record Type Details
ACTIVE MOIETY