2-Amino-8-{[2-(4-Biphenylyl)-2-Oxoethyl]Sulfanyl}-1,9-Dihydro-6H-Purin-6-One

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Formula C19H21N5O2S
IUPAC Name 2-amino-8-[2-oxo-2-(4-phenylphenyl)ethyl]sulfanyl-1,9-dihydropurine-2,3,4,5,7,8-hexaid-6-one
Molecular Mass 383.467 g·mol−1
Heat of Formation 148.8 ± 16.7 kJ·mol−1
Dipole Moment 4.20 ± 1.08 D
Volume 416.19 Å 3
Surface Area 382.36 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy 1.98 ± eV
Point Group Symmetry C1
InChIKey JPQMPGXXKRYOGX-UHFFFAOYSA-N
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