(2R)-2-({6-[(3-Aminophenyl)Sulfanyl]-9-Isopropyl-9H-Purin-2-Yl}Amino)-3-Methyl-1-Butanol

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Formula C19H26N6OS
IUPAC Name (2r)-2-[[6-(3-aminophenyl)sulfanyl-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
Molecular Mass 386.514 g·mol−1
Heat of Formation 63.2 ± 16.7 kJ·mol−1
Dipole Moment 6.49 ± 1.08 D
Volume 478.26 Å 3
Surface Area 385.08 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy -0.45 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[6-(3-aminophenyl)sulfanyl-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-yl-purin-2-yl]amino]-3-methyl-butan-1-ol
  • (2r)-2-[[6-(3-aminophenyl)sulfanyl-9-propan-2-ylpurin-2-yl]amino]-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-aminophenyl)thio]-9-isopropyl-2-purinyl]amino]-3-methylbutan-1-ol
  • (2r)-2-[[6-[(3-aminophenyl)thio]-9-isopropyl-purin-2-yl]amino]-3-methyl-butan-1-ol
InChIKey NLQYQPZBKDUXKS-HNNXBMFYSA-N
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