Seliciclib

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Properties Simple | Detailed

Formula C19H26N6O
IUPAC Name (2r)-2-[[6-(benzylamino)-9-isopropyl-purine-1,3,7-triium-2-yl]amino]butan-1-ol
Molecular Mass 354.449 g·mol−1
Heat of Formation 54.1 ± 16.7 kJ·mol−1
Dipole Moment 2.08 ± 1.08 D
Volume 449.1 Å 3
Surface Area 399.36 Å 2
HOMO Energy -8.19 ± 0.55 eV
LUMO Energy 2.83 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-2-[[6-(benzylamino)-9-isopropyl-purin-2-yl]amino]butan-1-ol
  • (2r)-2-[[6-(phenylmethylamino)-9-propan-2-yl-purin-2-yl]amino]butan-1-ol
  • (2r)-2-[[6-(phenylmethylamino)-9-propan-2-ylpurin-2-yl]amino]butan-1-ol
  • (2r)-2-[[9-isopropyl-6-(phenylmethylamino)-2-purinyl]amino]butan-1-ol
  • (2r)-2-[[9-isopropyl-6-(phenylmethylamino)purin-2-yl]amino]butan-1-ol
  • (r)-roscovitine
  • 1-butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2- yl)amino)-, (2r)-
  • 1-butanol, 2-((9-(1-methylethyl)-6-((phenylmethyl)amino)-9h-purin-2- yl)amino)-, (r)-
  • 1-butanol, 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9h-purin-2-yl]amino]-, (2r)-
  • 2-(r)-(1-ethyl-2-hydroxyethylamino)-6-benzylamino-9-isopropylpurine
  • 2-(r)-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]-9h-purin-2-yl]amino]-1-butanol
  • 2-[[9-(1-methylethyl)-6-[(phenylmethyl)amino]- 9h-purin-2-yl]amino]-(r)-1-butanol
  • 6-(benzylamino)-2(r)-[[1-(hydroxy¯methyl)propyl]amino]-9-isopropylpurine
  • bcbcmap01_000013
  • bio1_000302
  • bio1_000791
  • bio1_001280
  • bio2_000379
  • bio2_000859
  • biomolki2_000054
  • biomolki_000048
  • cyc 202
  • cyc202
  • k00020
  • r-roscovitine
  • rosco
  • rrc
  • smp1_000266
CAS Number(s)
  • 186692-46-6
InChIKey BTIHMVBBUGXLCJ-OAHLLOKOSA-N
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