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3-(5-((5-(4,6-dimethylpyrimidin-2-ylthio)-3-methyl-1-phenyl-1H-pyrazol-4-yl)(hydroxy)methyl)furan-2-yl)propan-1-ol
SpectraBase Compound ID 7cbFEw2AqhV
InChI InChI=1S/C24H26N4O3S/c1-15-14-16(2)26-24(25-15)32-23-21(17(3)27-28(23)18-8-5-4-6-9-18)22(30)20-12-11-19(31-20)10-7-13-29/h4-6,8-9,11-12,14,22,29-30H,7,10,13H2,1-3H3
InChIKey ZWVKYLQUSBKKMK-UHFFFAOYSA-N
Mol Weight 450.56 g/mol
Molecular Formula C24H26N4O3S
Exact Mass 450.172562 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EduMNPxpbB9
Name 3-(5-((5-(4,6-dimethylpyrimidin-2-ylthio)-3-methyl-1-phenyl-1H-pyrazol-4-yl)(hydroxy)methyl)furan-2-yl)propan-1-ol
Alternate Name(s) 3-(5-((5-((4,6-dimethylpyrimidin-2-yl)thio)-3-methyl-1-phenyl-1H-pyrazol-4-yl)(hydroxy)methyl)furan-2-yl)propan-1-ol
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H26N4O3S
InChI InChI=1S/C24H26N4O3S/c1-15-14-16(2)26-24(25-15)32-23-21(17(3)27-28(23)18-8-5-4-6-9-18)22(30)20-12-11-19(31-20)10-7-13-29/h4-6,8-9,11-12,14,22,29-30H,7,10,13H2,1-3H3
InChIKey ZWVKYLQUSBKKMK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/cjoc.200790148
Molecular Weight 450.557 g/mol
SMILES OCCCc1ccc(C(c2c([n](-c3ccccc3)nc2C)Sc2nc(cc(n2)C)C)O)o1
SPLASH splash10-0ar0-9077000000-ee1568ca1daed62ae1f4
Source of Spectrum CJC-25-811-5e
Wiley ID 1774435