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Details

Stereochemistry ACHIRAL
Molecular Formula C6H6N4O2
Molecular Weight 166.1374
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-METHYLXANTHINE

SMILES

CN1C(=O)NC2=C(NC=N2)C1=O

InChI

InChIKey=MVOYJPOZRLFTCP-UHFFFAOYSA-N
InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)

HIDE SMILES / InChI

Molecular Formula C6H6N4O2
Molecular Weight 166.1374
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 17:48:38 UTC 2023
Edited
by admin
on Fri Dec 15 17:48:38 UTC 2023
Record UNII
7EE8WCA32U
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-METHYLXANTHINE
Systematic Name English
XANTHINE, 1-METHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,7-DIHYDRO-1-METHYL-
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-1-METHYL-
Systematic Name English
Code System Code Type Description
MESH
C053085
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
FDA UNII
7EE8WCA32U
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
EPA CompTox
DTXSID30210271
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
PUBCHEM
80220
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
CAS
6136-37-4
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
ECHA (EC/EINECS)
228-108-5
Created by admin on Fri Dec 15 17:48:38 UTC 2023 , Edited by admin on Fri Dec 15 17:48:38 UTC 2023
PRIMARY
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