2-(1,3-Dimethyl-2,6-Dioxo-1,2,3,6-Tetrahydro-7H-Purin-7-Yl)-N-(4-Isopropylphenyl)Acetamide

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Properties Simple | Detailed

Formula C18H22N5O3++
IUPAC Name 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-n-(4-isopropylphenyl)acetamide
Molecular Mass 356.399 g·mol−1
Heat of Formation -310.0 ± 16.7 kJ·mol−1
Dipole Moment 5.34 ± 1.08 D
Volume 417.95 Å 3
Surface Area 374.66 Å 2
HOMO Energy -8.87 ± 0.55 eV
LUMO Energy -0.51 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-n-(4-isopropylphenyl)acetamide
  • 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-n-(4-isopropylphenyl)acetamide
  • 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-n-(4-propan-2-ylphenyl)ethanamide
  • 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-n-(4-propan-2-ylphenyl)acetamide
  • 2-(2,6-diketo-1,3-dimethyl-purin-7-yl)-n-(4-isopropylphenyl)acetamide
  • bas 02065857
  • oprea1_280240
  • oprea1_427263
  • tulip009207
InChIKey HEQDZPHDVAOBLN-UHFFFAOYSA-N
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