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

Details

Stereochemistry ACHIRAL
Molecular Formula C12H10N4O2
Molecular Weight 242.2334
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-8-PHENYL-3,7-DIHYDROPURINE-2,6-DIONE

SMILES

CN1C(=O)NC2=C(NC(=N2)C3=CC=CC=C3)C1=O

InChI

InChIKey=UOOOWRVLSKCKGJ-UHFFFAOYSA-N
InChI=1S/C12H10N4O2/c1-16-11(17)8-10(15-12(16)18)14-9(13-8)7-5-3-2-4-6-7/h2-6H,1H3,(H,13,14)(H,15,18)

HIDE SMILES / InChI

Molecular Formula C12H10N4O2
Molecular Weight 242.2334
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 05:57:22 GMT 2025
Edited
by admin
on Wed Apr 02 05:57:22 GMT 2025
Record UNII
3A7M692XBV
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-282736
Preferred Name English
1-METHYL-8-PHENYL-3,7-DIHYDROPURINE-2,6-DIONE
Systematic Name English
1-Methyl-8-phenylxanthine
Common Name English
1-methyl-8-phenyl-2,3,6,9-tetrahydro-1H-purine-2,6-dione
Systematic Name English
1-Methyl-8-phenyl-3,9-dihydro-1H-purine-2,6-dione
Systematic Name English
3,9-Dihydro-1-methyl-8-phenyl-1H-purine-2,6-dione
Systematic Name English
1-Methyl-8-phenyl-3,9-dihydro-purine-2,6-dione
Systematic Name English
8-Phenyl-1-methylxanthine
Common Name English
1H-Purine-2,6-dione, 3,9-dihydro-1-methyl-8-phenyl-
Systematic Name English
Code System Code Type Description
NSC
282736
Created by admin on Wed Apr 02 05:57:22 GMT 2025 , Edited by admin on Wed Apr 02 05:57:22 GMT 2025
PRIMARY
PUBCHEM
323342
Created by admin on Wed Apr 02 05:57:22 GMT 2025 , Edited by admin on Wed Apr 02 05:57:22 GMT 2025
PRIMARY
CAS
2850-37-5
Created by admin on Wed Apr 02 05:57:22 GMT 2025 , Edited by admin on Wed Apr 02 05:57:22 GMT 2025
PRIMARY
FDA UNII
3A7M692XBV
Created by admin on Wed Apr 02 05:57:22 GMT 2025 , Edited by admin on Wed Apr 02 05:57:22 GMT 2025
PRIMARY
EPA CompTox
DTXSID40314411
Created by admin on Wed Apr 02 05:57:22 GMT 2025 , Edited by admin on Wed Apr 02 05:57:22 GMT 2025
PRIMARY