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Details

Stereochemistry ACHIRAL
Molecular Formula C23H23N5O2
Molecular Weight 401.461
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of EMAPUNIL

SMILES

CCN(CC1=CC=CC=C1)C(=O)CN2C(=O)N(C)C3=CN=C(N=C23)C4=CC=CC=C4

InChI

InChIKey=NBMBIEOUVBHEBM-UHFFFAOYSA-N
InChI=1S/C23H23N5O2/c1-3-27(15-17-10-6-4-7-11-17)20(29)16-28-22-19(26(2)23(28)30)14-24-21(25-22)18-12-8-5-9-13-18/h4-14H,3,15-16H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C23H23N5O2
Molecular Weight 401.461
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 Fri Dec 15 16:20:40 UTC 2023
Edited
by admin
on Fri Dec 15 16:20:40 UTC 2023
Record UNII
OG837L732J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
EMAPUNIL
INN  
INN  
Official Name English
N-BENZYL-N-ETHYL-2-(7-METHYL-8-OXO-2-PHENYL-7,8-DIHYDRO-9H-PURIN-9-YL)ACETAMIDE
Systematic Name English
XBD173
Code English
AC-5216
Code English
XBD-173
Code English
emapunil [INN]
Common Name English
Classification Tree Code System Code
NCI_THESAURUS C28197
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
NCI_THESAURUS C29756
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
Code System Code Type Description
NCI_THESAURUS
C82906
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
FDA UNII
OG837L732J
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
ChEMBL
CHEMBL513922
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
PUBCHEM
6433109
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
EPA CompTox
DTXSID40177220
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
DRUG BANK
DB12666
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
CAS
226954-04-7
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
SMS_ID
100000174972
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
INN
8432
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
WIKIPEDIA
EMAPUNIL
Created by admin on Fri Dec 15 16:20:40 UTC 2023 , Edited by admin on Fri Dec 15 16:20:40 UTC 2023
PRIMARY
Related Record Type Details
TARGET->LIGAND
Related Record Type Details
ACTIVE MOIETY