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Details

Stereochemistry ACHIRAL
Molecular Formula C16H12N2O3
Molecular Weight 280.2781
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5,5-DIPHENYLBARBITURIC ACID

SMILES

O=C1NC(=O)C(C(=O)N1)(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChIKey=IKVPZYAOGOJTLK-UHFFFAOYSA-N
InChI=1S/C16H12N2O3/c19-13-16(11-7-3-1-4-8-11,12-9-5-2-6-10-12)14(20)18-15(21)17-13/h1-10H,(H2,17,18,19,20,21)

HIDE SMILES / InChI

Approval Year

2016
495
PubMed

PubMed

TitleDatePubMed
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Name Type Language
5,5-DIPHENYLBARBITURIC ACID
Systematic Name English
2,4,6(1H,3H,5H)-PYRIMIDINETRIONE, 5,5-DIPHENYL-
Systematic Name English
5,5-DIPHENYL-2,4,6(1H,3H,5H)-PYRIMIDINETRIONE
Systematic Name English
NSC-80540
Code English
BARBITURIC ACID, 5,5-DIPHENYL-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID90176329
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
PUBCHEM
46484
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
FDA UNII
UKJ3RFZ0Z4
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
NSC
80540
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
CAS
21914-07-8
Created by admin on Sat Dec 16 13:06:30 GMT 2023 , Edited by admin on Sat Dec 16 13:06:30 GMT 2023
PRIMARY
NIH
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