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Details

Stereochemistry ACHIRAL
Molecular Formula C10H14N4O2
Molecular Weight 222.2438
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYL-7-(2-METHYLPROPYL)-3H-PURINE-2,6-DIONE

SMILES

CC(C)CN1C=NC2=C1C(=O)N(C)C(=O)N2

InChI

InChIKey=VCBURIAVUSLZHM-UHFFFAOYSA-N
InChI=1S/C10H14N4O2/c1-6(2)4-14-5-11-8-7(14)9(15)13(3)10(16)12-8/h5-6H,4H2,1-3H3,(H,12,16)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
1-METHYL-7-(2-METHYLPROPYL)-3H-PURINE-2,6-DIONE
Systematic Name English
3,7-DIHYDRO-1-METHYL-7-(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE
Systematic Name English
ISBUFYLLINE METABOLITE III
Common Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-METHYL-7-(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40160117
Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023
PRIMARY
CAS
137235-84-8
Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023
PRIMARY
FDA UNII
EB990BV62L
Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023
PRIMARY
PUBCHEM
3071494
Created by admin on Sat Dec 16 16:54:40 GMT 2023 , Edited by admin on Sat Dec 16 16:54:40 GMT 2023
PRIMARY
PARENT (METABOLITE)
Structure of ISBUFYLLINE
NIH
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