U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS
This repository is under review for potential modification in compliance with Administration directives.

Details

Stereochemistry ACHIRAL
Molecular Formula C11H9N5O
Molecular Weight 227.2221
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 9-PHENYLGUANINE

SMILES

NC1=NC2=C(N=CN2C3=CC=CC=C3)C(O)=N1

InChI

InChIKey=XOVSLVYAFGLDMS-UHFFFAOYSA-N
InChI=1S/C11H9N5O/c12-11-14-9-8(10(17)15-11)13-6-16(9)7-4-2-1-3-5-7/h1-6H,(H3,12,14,15,17)

HIDE SMILES / InChI

Molecular Formula C11H9N5O
Molecular Weight 227.2221
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
JOM4H84L8J
Record Status Validated (UNII)
Record Version