N-Benzyl-N-Ethyl-2-(7-Methyl-8-Oxo-2-Phenyl-7,8-Dihydro-9H-Purin-9-Yl)Acetamide

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Properties Simple | Detailed

Formula C23H23N5O2
IUPAC Name n-benzyl-n-ethyl-2-(7-methyl-8-oxo-2-phenyl-purin-9-yl)acetamide
Molecular Mass 401.461 g·mol−1
Heat of Formation 32.9 ± 16.7 kJ·mol−1
Dipole Moment 3.26 ± 1.08 D
Volume 485.01 Å 3
Surface Area 354.0 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy -0.97 ± eV
Point Group Symmetry C1
Synonyms
  • n-(benzyl)-n-ethyl-2-(8-keto-7-methyl-2-phenyl-purin-9-yl)acetamide
  • n-ethyl-2-(7-methyl-8-oxo-2-phenyl-9-purinyl)-n-(phenylmethyl)acetamide
  • n-ethyl-2-(7-methyl-8-oxo-2-phenyl-purin-9-yl)-n-(phenylmethyl)acetamide
  • n-ethyl-2-(7-methyl-8-oxo-2-phenyl-purin-9-yl)-n-(phenylmethyl)ethanamide
  • n-ethyl-2-(7-methyl-8-oxo-2-phenylpurin-9-yl)-n-(phenylmethyl)acetamide
CAS Number(s)
  • 226954-04-7
InChIKey NBMBIEOUVBHEBM-UHFFFAOYSA-N
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