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Details

Stereochemistry ACHIRAL
Molecular Formula C15H17N5O2
Molecular Weight 299.3278
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-(4-Hydroxybutyl)-N2-phenylguanine

SMILES

OCCCCN1C=NC2=C1N=C(NC3=CC=CC=C3)NC2=O

InChI

InChIKey=JHBXNPBKSPYOFT-UHFFFAOYSA-N
InChI=1S/C15H17N5O2/c21-9-5-4-8-20-10-16-12-13(20)18-15(19-14(12)22)17-11-6-2-1-3-7-11/h1-3,6-7,10,21H,4-5,8-9H2,(H2,17,18,19,22)

HIDE SMILES / InChI

Molecular Formula C15H17N5O2
Molecular Weight 299.3278
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 Wed Apr 02 06:44:56 GMT 2025
Edited
by admin
on Wed Apr 02 06:44:56 GMT 2025
Record UNII
A52TG78T53
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
9-(4-Hydroxybutyl)-N2-phenylguanine
Systematic Name English
1,9-Dihydro-9-(4-hydroxybutyl)-2-(phenylamino)-6H-purin-6-one
Preferred Name English
6H-Purin-6-one, 1,9-dihydro-9-(4-hydroxybutyl)-2-(phenylamino)
Systematic Name English
9-(4-Oxidanylbutyl)-2-phenylazanyl-1H-purin-6-one
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID00332272
Created by admin on Wed Apr 02 06:44:56 GMT 2025 , Edited by admin on Wed Apr 02 06:44:56 GMT 2025
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PUBCHEM
135415618
Created by admin on Wed Apr 02 06:44:56 GMT 2025 , Edited by admin on Wed Apr 02 06:44:56 GMT 2025
PRIMARY
CAS
161363-19-5
Created by admin on Wed Apr 02 06:44:56 GMT 2025 , Edited by admin on Wed Apr 02 06:44:56 GMT 2025
PRIMARY
FDA UNII
A52TG78T53
Created by admin on Wed Apr 02 06:44:56 GMT 2025 , Edited by admin on Wed Apr 02 06:44:56 GMT 2025
PRIMARY