2-[(6-Amino-9H-Purin-9-Yl)Methyl]-5-Methyl-3-(2-Methylphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C22H19N7O
IUPAC Name 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(o-tolyl)quinazolin-4-one
Molecular Mass 397.433 g·mol−1
Heat of Formation 313.8 ± 16.7 kJ·mol−1
Dipole Moment 0.61 ± 1.08 D
Volume 457.26 Å 3
Surface Area 359.0 Å 2
HOMO Energy -8.98 ± 0.55 eV
LUMO Energy -0.83 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[(6-amino-9-purinyl)methyl]-5-methyl-3-(2-methylphenyl)-4-quinazolinone
  • 2-[(6-aminopurin-9-yl)methyl]-5-methyl-3-(2-methylphenyl)quinazolin-4-one
  • bcb04_000224
  • biomolki2_000002
  • d-030
  • ic-87114
InChIKey GNWHRHGTIBRNSM-UHFFFAOYSA-N
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