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9-[[(5S,7R)-5-(hydroxymethyl)-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-7-yl]methyl]-3H-purin-6-one
SpectraBase Compound ID H6zRpgJs3IU
InChI InChI=1S/C26H22N6O2/c33-13-19-11-18(12-32-15-29-24-25(32)27-14-28-26(24)34)20-21(19)23(17-9-5-2-6-10-17)31-30-22(20)16-7-3-1-4-8-16/h1-10,14-15,18-19,33H,11-13H2,(H,27,28,34)/t18-,19+/m0/s1
InChIKey MJWAABYBSUHZED-RBUKOAKNSA-N
Mol Weight 450.5 g/mol
Molecular Formula C26H22N6O2
Exact Mass 450.180424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GRsLnYyRviS
Name 9-[[(5S,7R)-5-(hydroxymethyl)-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-7-yl]methyl]-3H-purin-6-one
Alternate Name(s) 9-[[(5S,7R)-5-methylol-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-7-yl]methyl]-3H-purin-6-one
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Formula C26H22N6O2
InChI InChI=1S/C26H22N6O2/c33-13-19-11-18(12-32-15-29-24-25(32)27-14-28-26(24)34)20-21(19)23(17-9-5-2-6-10-17)31-30-22(20)16-7-3-1-4-8-16/h1-10,14-15,18-19,33H,11-13H2,(H,27,28,34)/t18-,19+/m0/s1
InChIKey MJWAABYBSUHZED-RBUKOAKNSA-N
Molecular Weight 450.502 g/mol
SMILES Oc1c2c([n](C[C@@]3(C[C@](CO)(c4c3c(nnc4-c3ccccc3)-c3ccccc3)[H])[H])cn2)ncn1
SPLASH splash10-01qi-0292300000-79852b15d9d475391ab4
Source of Spectrum C5-2004-2859-12
Wiley ID 1617558