2-{(1S)-1-[(2-Amino-3H-Purin-6-Yl)Amino]Ethyl}-5-Methyl-3-(2-Methylphenyl)-4(3H)-Quinazolinone

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Properties Simple | Detailed

Formula C23H24N8O
IUPAC Name 2-[(1s)-1-[(2-amino-7h-purine-1,3,9-triium-5-id-6-yl)amino]ethyl]-5-methyl-3-(o-tolyl)quinazolin-1-ium-4a-id-4-one
Molecular Mass 428.490 g·mol−1
Heat of Formation 314.9 ± 16.7 kJ·mol−1
Dipole Moment 5.08 ± 1.08 D
Volume 500.23 Å 3
Surface Area 399.81 Å 2
HOMO Energy -8.57 ± 0.55 eV
LUMO Energy -0.99 ± eV
Point Group Symmetry C1
InChIKey PUYVJBBSBPUKBT-AWEZNQCLSA-N
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