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(+-)-cis{7-[(6-Methoxy-9H-purin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl}methanol
SpectraBase Compound ID GFOLdVNreHe
InChI InChI=1S/C27H24N6O2/c1-35-27-25-26(28-15-29-27)33(16-30-25)13-19-12-20(14-34)22-21(19)23(17-8-4-2-5-9-17)31-32-24(22)18-10-6-3-7-11-18/h2-11,15-16,19-20,34H,12-14H2,1H3/t19-,20+/m1/s1
InChIKey REDWNURVZCCOOY-UXHICEINSA-N
Mol Weight 464.53 g/mol
Molecular Formula C27H24N6O2
Exact Mass 464.196074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6AyvO3mXcrT
Name (+-)-cis{7-[(6-Methoxy-9H-purin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl}methanol
Alternate Name(s) {(5R,7S)-7-[(6-methoxy-9H-purin-9-yl)methyl]-1,4-diphenyl-6,7-dihydro-5H-cyclopenta[d]pyridazin-5-yl}methanol
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Formula C27H24N6O2
InChI InChI=1S/C27H24N6O2/c1-35-27-25-26(28-15-29-27)33(16-30-25)13-19-12-20(14-34)22-21(19)23(17-8-4-2-5-9-17)31-32-24(22)18-10-6-3-7-11-18/h2-11,15-16,19-20,34H,12-14H2,1H3/t19-,20+/m1/s1
InChIKey REDWNURVZCCOOY-UXHICEINSA-N
Molecular Weight 464.529 g/mol
SMILES OC[C@@]1(C[C@@](c2c1c(-c1ccccc1)nnc2-c1ccccc1)(C[n]1c2c(c(OC)ncn2)nc1)[H])[H]
SPLASH splash10-066r-0823900000-8f4199bdd68a75234185
Source of Spectrum C5-2004-2859-12
Wiley ID 1617557