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Details

Stereochemistry ACHIRAL
Molecular Formula C11H16N4O2
Molecular Weight 236.2703
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE

SMILES

CC(C)CC1=NC2=C(N1)C(=O)N(C)C(=O)N2C

InChI

InChIKey=NOEMEJJCNDUHJT-UHFFFAOYSA-N
InChI=1S/C11H16N4O2/c1-6(2)5-7-12-8-9(13-7)14(3)11(17)15(4)10(8)16/h6H,5H2,1-4H3,(H,12,13)

HIDE SMILES / InChI

Approval Year

Unknown
139594
Name Type Language
3,9-DIHYDRO-1,3-DIMETHYL-8-(2-METHYLPROPYL)-1H-PURINE-2,6-DIONE
Systematic Name English
THEOPHYLLINE, 8-ISOBUTYL-
Systematic Name English
NSC-101801
Code English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1,3-DIMETHYL-8-(2-METHYLPROPYL)-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1,3-DIMETHYL-8-(2-METHYLPROPYL)-
Systematic Name English
Code System Code Type Description
NSC
101801
Created by admin on Sat Dec 16 12:40:33 GMT 2023 , Edited by admin on Sat Dec 16 12:40:33 GMT 2023
PRIMARY
PUBCHEM
79839
Created by admin on Sat Dec 16 12:40:33 GMT 2023 , Edited by admin on Sat Dec 16 12:40:33 GMT 2023
PRIMARY
EPA CompTox
DTXSID70206411
Created by admin on Sat Dec 16 12:40:33 GMT 2023 , Edited by admin on Sat Dec 16 12:40:33 GMT 2023
PRIMARY
CAS
5770-30-9
Created by admin on Sat Dec 16 12:40:33 GMT 2023 , Edited by admin on Sat Dec 16 12:40:33 GMT 2023
PRIMARY
FDA UNII
1PI5BD4DI0
Created by admin on Sat Dec 16 12:40:33 GMT 2023 , Edited by admin on Sat Dec 16 12:40:33 GMT 2023
PRIMARY
NIH
NCATS
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