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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 3-METHYL-1-PROPYLXANTHINE

SMILES

CCCN1C(=O)N(C)C2=C(NC=N2)C1=O

InChI

InChIKey=UEGOAAXVUJWIHJ-UHFFFAOYSA-N
InChI=1S/C9H12N4O2/c1-3-4-13-8(14)6-7(11-5-10-6)12(2)9(13)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

Patents

Patents

Substance Class Chemical
Created
by admin
on Fri Dec 15 19:14:12 GMT 2023
Edited
by admin
on Fri Dec 15 19:14:12 GMT 2023
Record UNII
8YM307PRAS
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-1-PROPYLXANTHINE
Systematic Name English
1H-PURINE-2,6-DIONE, 3,9-DIHYDRO-3-METHYL-1-PROPYL-
Systematic Name English
Code System Code Type Description
CAS
72117-78-3
Created by admin on Fri Dec 15 19:14:12 GMT 2023 , Edited by admin on Fri Dec 15 19:14:12 GMT 2023
PRIMARY
EPA CompTox
DTXSID20992837
Created by admin on Fri Dec 15 19:14:12 GMT 2023 , Edited by admin on Fri Dec 15 19:14:12 GMT 2023
PRIMARY
FDA UNII
8YM307PRAS
Created by admin on Fri Dec 15 19:14:12 GMT 2023 , Edited by admin on Fri Dec 15 19:14:12 GMT 2023
PRIMARY
PUBCHEM
174907
Created by admin on Fri Dec 15 19:14:12 GMT 2023 , Edited by admin on Fri Dec 15 19:14:12 GMT 2023
PRIMARY