2-Amino-8-{[2-(3-Methylphenyl)-2-Oxoethyl]Sulfanyl}-1,7-Dihydro-6H-Purin-6-One

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Formula C14H19N5O2S
IUPAC Name 2-amino-8-[2-(m-tolyl)-2-oxo-ethyl]sulfanyl-1,9-dihydropurine-2,3,4,5,7,8-hexaid-6-one
Molecular Mass 321.398 g·mol−1
Heat of Formation 3.2 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 346.12 Å 3
Surface Area 326.54 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -0.60 ± eV
Point Group Symmetry C1
InChIKey KDLSQBTYPBZMRM-UHFFFAOYSA-N
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