3,9-Dihydro-3-methyl-1-(5-oxohexyl)-1H-purine-2,6-dione

CAS Registry Number®

38975-46-1
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CAS Name

3,9-Dihydro-3-methyl-1-(5-oxohexyl)-1H-purine-2,6-dione

Molecular Formula

C12H16N4O3

Molecular Mass

264.28

Cite this Page

3,9-Dihydro-3-methyl-1-(5-oxohexyl)-1H-purine-2,6-dione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=38975-46-1 (retrieved 2024-05-04) (CAS RN: 38975-46-1).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H16N4O3/c1-8(17)5-3-4-6-16-11(18)9-10(14-7-13-9)15(2)12(16)19/h7H,3-6H2,1-2H3,(H,13,14)

InChIKey

InChIKey=PVUYHZOYPIJUBZ-UHFFFAOYSA-N

SMILES

O=C1C2=C(N(C)C(=O)N1CCCCC(C)=O)N=CN2

Canonical SMILES

O=C1C=2NC=NC2N(C(=O)N1CCCCC(=O)C)C

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-3-methyl-1-(5-oxohexyl)-
  • 1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-1-(5-oxohexyl)-
  • 3,9-Dihydro-3-methyl-1-(5-oxohexyl)-1H-purine-2,6-dione
  • 1-(5-Ketohexyl)-3-methylxanthine

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