1,3-Dipropyl-7-methylxanthine

CAS Registry Number®

31542-63-9

CAS Name

1,3-Dipropyl-7-methylxanthine

Molecular Formula

C12H18N4O2

Molecular Mass

250.30

Cite this Page

1,3-Dipropyl-7-methylxanthine.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=31542-63-9 (retrieved 2024-11-21) (CAS RN: 31542-63-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    114-116 °C

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H18N4O2/c1-4-6-15-10-9(14(3)8-13-10)11(17)16(7-5-2)12(15)18/h8H,4-7H2,1-3H3

InChIKey

InChIKey=QVAYTZAGDQIWMB-UHFFFAOYSA-N

SMILES

C(CC)N1C2=C(C(=O)N(CCC)C1=O)N(C)C=N2

Canonical SMILES

O=C1C2=C(N=CN2C)N(C(=O)N1CCC)CCC

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,7-dihydro-7-methyl-1,3-dipropyl-
  • Heteroxanthine, 1,3-dipropyl-
  • 3,7-Dihydro-7-methyl-1,3-dipropyl-1H-purine-2,6-dione
  • 7-Methyl-1,3-dipropylxanthine
  • 1,3-Dipropylheteroxanthine

View All

CAS INSIGHTSTM
Targeted protein degrader structure, illustration