Ethyl 4-(3,7-Dimethyl-2,6-Dioxo-2,3,6,7-Tetrahydro-1H-Purin-1-Yl)-3-Oxobutanoate

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Formula C13H20N4O5
IUPAC Name ethyl 4-(3,7-dimethyl-2,6-dioxo-8h-purine-4,5,8,9-tetraid-1-yl)-3-oxo-butanoate
Molecular Mass 312.322 g·mol−1
Heat of Formation -710.5 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 346.75 Å 3
Surface Area 320.54 Å 2
HOMO Energy -9.02 ± 0.55 eV
LUMO Energy -0.54 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-purine-1-butanoic acid, 2,3,6,7-tetrahydro-3,7-dimethyl-beta,2,6-trioxo-, ethyl ester
  • 4-(2,6-diketo-3,7-dimethyl-purin-1-yl)-3-keto-butyric acid ethyl ester
  • 4-(3,7-dimethyl-2,6-dioxo-1-purinyl)-3-oxobutanoic acid ethyl ester
  • carprofilin
  • carprofiline
  • carprophilline
  • carprophylline
  • ethyl 4-(3,7-dimethyl-2,6-dioxo-purin-1-yl)-3-oxo-butanoate
  • ethyl 4-(3,7-dimethyl-2,6-dioxopurin-1-yl)-3-oxobutanoate
CAS Number(s)
  • 101706-05-2
InChIKey ODVAGOBDSRFERK-UHFFFAOYSA-N
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