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

Details

Stereochemistry ABSOLUTE
Molecular Formula C20H34N6O2
Molecular Weight 390.523
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of GSK-2245035

SMILES

CCC[C@H](C)OC1=NC(N)=C2NC(=O)N(CCCCCN3CCCCC3)C2=N1

InChI

InChIKey=LFMPVTVPXHNXOT-HNNXBMFYSA-N
InChI=1S/C20H34N6O2/c1-3-10-15(2)28-19-23-17(21)16-18(24-19)26(20(27)22-16)14-9-5-8-13-25-11-6-4-7-12-25/h15H,3-14H2,1-2H3,(H,22,27)(H2,21,23,24)/t15-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H34N6O2
Molecular Weight 390.523
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 14:04:04 GMT 2023
Edited
by admin
on Sat Dec 16 14:04:04 GMT 2023
Record UNII
5L3SX16QBQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
GSK-2245035
Code English
GSK2245035
Code English
8H-PURIN-8-ONE, 6-AMINO-7,9-DIHYDRO-2-((1S)-1-METHYLBUTOXY)-9-(5-(1-PIPERIDINYL)PENTYL)-
Systematic Name English
Code System Code Type Description
SMS_ID
300000041351
Created by admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
PRIMARY
FDA UNII
5L3SX16QBQ
Created by admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
PRIMARY
CAS
1207629-49-9
Created by admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
PRIMARY
PUBCHEM
44623937
Created by admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY