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[(5S,7R)-7-[[6-(cyclopropylamino)-9-purinyl]methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
SpectraBase Compound ID Lb3prHQMyMl
InChI InChI=1S/C29H27N7O/c37-15-21-13-20(14-36-17-32-27-28(33-22-11-12-22)30-16-31-29(27)36)23-24(21)26(19-9-5-2-6-10-19)35-34-25(23)18-7-3-1-4-8-18/h1-10,16-17,20-22,37H,11-15H2,(H,30,31,33)/t20-,21+/m0/s1
InChIKey IEWPDIFDEPWKFY-LEWJYISDSA-N
Mol Weight 489.58 g/mol
Molecular Formula C29H27N7O
Exact Mass 489.227709 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JWoEgfmQscn
Name [(5S,7R)-7-[[6-(cyclopropylamino)-9-purinyl]methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H27N7O
InChI InChI=1S/C29H27N7O/c37-15-21-13-20(14-36-17-32-27-28(33-22-11-12-22)30-16-31-29(27)36)23-24(21)26(19-9-5-2-6-10-19)35-34-25(23)18-7-3-1-4-8-18/h1-10,16-17,20-22,37H,11-15H2,(H,30,31,33)/t20-,21+/m0/s1
InChIKey IEWPDIFDEPWKFY-LEWJYISDSA-N
Molecular Weight 489.583 g/mol
SMILES OC[C@@]1(c2c([C@](C[n]3c4c(c(ncn4)NC4CC4)nc3)(C1)[H])c(nnc2-c1ccccc1)-c1ccccc1)[H]
SPLASH splash10-014i-0496000000-bd0af839bd864db0b8e2
Source of Spectrum C5-2004-2860-13
Synonyms [(5S,7R)-7-[[6-(cyclopropylamino)purin-9-yl]methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl]methanol
Wiley ID 1617555