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Details

Stereochemistry ACHIRAL
Molecular Formula C21H29N5O2
Molecular Weight 383.4881
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of SHI-437 FREE BASE

SMILES

Cc1c(c(C)nc(=NCCN2CCN(CC2)c3ccccc3OC)[nH]1)C(=O)C

InChI

InChIKey=SASFUNXGPNBZOR-UHFFFAOYSA-N
InChI=1S/C21H29N5O2/c1-15-20(17(3)27)16(2)24-21(23-15)22-9-10-25-11-13-26(14-12-25)18-7-5-6-8-19(18)28-4/h5-8H,9-14H2,1-4H3,(H,22,23,24)

HIDE SMILES / InChI

Molecular Formula C21H29N5O2
Molecular Weight 383.4881
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 Jun 26 03:39:41 UTC 2021
Edited
by admin
on Sat Jun 26 03:39:41 UTC 2021
Record UNII
1PJ59Z2KLT
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
SHI-437 FREE BASE
Code English
ETHANONE, 1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)-
Systematic Name English
1-(2-((2-(4-(2-METHOXYPHENYL)-1-PIPERAZINYL)ETHYL)AMINO)-4,6-DIMETHYL-5-PYRIMIDINYL)ETHANONE
Systematic Name English
Code System Code Type Description
PUBCHEM
129406
Created by admin on Sat Jun 26 03:39:41 UTC 2021 , Edited by admin on Sat Jun 26 03:39:41 UTC 2021
PRIMARY
CAS
108381-26-6
Created by admin on Sat Jun 26 03:39:41 UTC 2021 , Edited by admin on Sat Jun 26 03:39:41 UTC 2021
PRIMARY
FDA UNII
1PJ59Z2KLT
Created by admin on Sat Jun 26 03:39:41 UTC 2021 , Edited by admin on Sat Jun 26 03:39:41 UTC 2021
PRIMARY
Related Record Type Details
TARGET -> INHIBITOR
SALT/SOLVATE -> PARENT
Related Record Type Details
ACTIVE MOIETY