3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione

CAS Registry Number®

85872-53-3

CAS Name

3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione

Molecular Formula

C17H20N4O2

Molecular Mass

312.37

Cite this Page

3,9-Dihydro-8-phenyl-1,3-dipropyl-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=85872-53-3 (retrieved 2024-11-22) (CAS RN: 85872-53-3).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    252-253 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C17H20N4O2/c1-3-10-20-15-13(16(22)21(11-4-2)17(20)23)18-14(19-15)12-8-6-5-7-9-12/h5-9H,3-4,10-11H2,1-2H3,(H,18,19)

InChIKey

InChIKey=CLIGSMOZKDCDRZ-UHFFFAOYSA-N

SMILES

C(CC)N1C2=C(NC(=N2)C3=CC=CC=C3)C(=O)N(CCC)C1=O

Canonical SMILES

O=C1C=2NC(=NC2N(C(=O)N1CCC)CCC)C=3C=CC=CC3

Other Names for this Substance

  • 1H-Purine-2,6-dione, 3,9-dihydro-8-phenyl-1,3-dipropyl-
  • 1H-Purine-2,6-dione, 3,7-dihydro-8-phenyl-1,3-dipropyl-
  • 3,9-Dihydro-8-phenyl-1,3-dipropyl-1H-purine-2,6-dione
  • 1,3-Dipropyl-8-phenylxanthine
  • NPC 200

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