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Details

Stereochemistry ACHIRAL
Molecular Formula C11H12N6O3
Molecular Weight 276.2514
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 7-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)theophylline

SMILES

CN1C2=C(N(CC3=NOC(C)=N3)C=N2)C(=O)N(C)C1=O

InChI

InChIKey=JBXSBZBZASARMY-UHFFFAOYSA-N
InChI=1S/C11H12N6O3/c1-6-13-7(14-20-6)4-17-5-12-9-8(17)10(18)16(3)11(19)15(9)2/h5H,4H2,1-3H3

HIDE SMILES / InChI

Molecular Formula C11H12N6O3
Molecular Weight 276.2514
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 18:44:36 GMT 2023
Edited
by admin
on Fri Dec 15 18:44:36 GMT 2023
Record UNII
YDA5V2F8HR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
7-((5-Methyl-1,2,4-oxadiazol-3-yl)methyl)theophylline
Systematic Name English
3,7-Dihydro-1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1H-purine-2,6-dione
Systematic Name English
CH-170
Code English
1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-
Systematic Name English
Code System Code Type Description
CAS
88338-63-0
Created by admin on Fri Dec 15 18:44:36 GMT 2023 , Edited by admin on Fri Dec 15 18:44:36 GMT 2023
PRIMARY
PUBCHEM
139570
Created by admin on Fri Dec 15 18:44:36 GMT 2023 , Edited by admin on Fri Dec 15 18:44:36 GMT 2023
PRIMARY
EPA CompTox
DTXSID90236972
Created by admin on Fri Dec 15 18:44:36 GMT 2023 , Edited by admin on Fri Dec 15 18:44:36 GMT 2023
PRIMARY
FDA UNII
YDA5V2F8HR
Created by admin on Fri Dec 15 18:44:36 GMT 2023 , Edited by admin on Fri Dec 15 18:44:36 GMT 2023
PRIMARY