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[(5S,7R)-7-[(6-chloranylpurin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
SpectraBase Compound ID KMt4O9yP5tL
InChI InChI=1S/C26H21ClN6O/c27-25-24-26(29-14-28-25)33(15-30-24)12-18-11-19(13-34)21-20(18)22(16-7-3-1-4-8-16)31-32-23(21)17-9-5-2-6-10-17/h1-10,14-15,18-19,34H,11-13H2/t18-,19+/m0/s1
InChIKey XIZUZKUUKSRENF-RBUKOAKNSA-N
Mol Weight 468.95 g/mol
Molecular Formula C26H21ClN6O
Exact Mass 468.146537 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IKBmV2xUm
Name [(5S,7R)-7-[(6-chloranylpurin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
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Formula C26H21ClN6O
InChI InChI=1S/C26H21ClN6O/c27-25-24-26(29-14-28-25)33(15-30-24)12-18-11-19(13-34)21-20(18)22(16-7-3-1-4-8-16)31-32-23(21)17-9-5-2-6-10-17/h1-10,14-15,18-19,34H,11-13H2/t18-,19+/m0/s1
InChIKey XIZUZKUUKSRENF-RBUKOAKNSA-N
Molecular Weight 468.948 g/mol
SMILES OC[C@]1(C[C@](c2c1c(-c1ccccc1)nnc2-c1ccccc1)(C[n]1c2c(c(Cl)ncn2)nc1)[H])[H]
SPLASH splash10-015i-0093500000-45a3d654433ba9cbae88
Source of Spectrum C5-2004-2861-17
Synonyms [(5S,7R)-7-[(6-chloro-9-purinyl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol [(5S,7R)-7-[(6-chloropurin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
Wiley ID 1617550