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Details

Stereochemistry ACHIRAL
Molecular Formula C9H12N4O2
Molecular Weight 208.2172
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-DIETHYLXANTHINE

SMILES

CCN1C2=C(NC=N2)C(=O)N(CC)C1=O

InChI

InChIKey=GIMNFISWKTZFKJ-UHFFFAOYSA-N
InChI=1S/C9H12N4O2/c1-3-12-7-6(10-5-11-7)8(14)13(4-2)9(12)15/h5H,3-4H2,1-2H3,(H,10,11)

HIDE SMILES / InChI

Molecular Formula C9H12N4O2
Molecular Weight 208.2172
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 Sat Dec 16 12:44:13 GMT 2023
Edited
by admin
on Sat Dec 16 12:44:13 GMT 2023
Record UNII
4550Q64O79
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-DIETHYLXANTHINE
Systematic Name English
NSC-515479
Code English
1H-PURINE-2,6-DIONE, 1,3-DIETHYL-3,7-DIHYDRO-
Systematic Name English
1H-PURINE-2,6-DIONE, 1,3-DIETHYL-3,9-DIHYDRO-
Systematic Name English
XANTHINE, 1,3-DIETHYL-
Systematic Name English
SC-2079
Code English
1,3-DIETHYL-3,9-DIHYDRO-1H-PURINE-2,6-DIONE
Systematic Name English
Code System Code Type Description
EPA CompTox
DTXSID40199644
Created by admin on Sat Dec 16 12:44:13 GMT 2023 , Edited by admin on Sat Dec 16 12:44:13 GMT 2023
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FDA UNII
4550Q64O79
Created by admin on Sat Dec 16 12:44:13 GMT 2023 , Edited by admin on Sat Dec 16 12:44:13 GMT 2023
PRIMARY
CAS
5169-95-9
Created by admin on Sat Dec 16 12:44:13 GMT 2023 , Edited by admin on Sat Dec 16 12:44:13 GMT 2023
PRIMARY
PUBCHEM
101420
Created by admin on Sat Dec 16 12:44:13 GMT 2023 , Edited by admin on Sat Dec 16 12:44:13 GMT 2023
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NSC
515479
Created by admin on Sat Dec 16 12:44:13 GMT 2023 , Edited by admin on Sat Dec 16 12:44:13 GMT 2023
PRIMARY