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1H-Purine-7-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, N'-[[5-[4-(trifluoromethoxy)phenyl]-2-furanyl]methylidene]hydrazide
SpectraBase Compound ID 9HUrNa8pz8u
InChI InChI=1S/C21H17F3N6O5/c1-28-18-17(19(32)29(2)20(28)33)30(11-25-18)10-16(31)27-26-9-14-7-8-15(34-14)12-3-5-13(6-4-12)35-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,27,31)/b26-9+
InChIKey PDSRIRUVLZJOKY-JQAMDZJQSA-N
Mol Weight 490.4 g/mol
Molecular Formula C21H17F3N6O5
Exact Mass 490.121252 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3hQXCCYORVM
Name 1H-Purine-7-acetic acid, 2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-, N'-[[5-[4-(trifluoromethoxy)phenyl]-2-furanyl]methylidene]hydrazide
Alternate Name(s) 2-(1,3-dimethyl-2,6-dioxo-7-purinyl)-N-[(E)-[5-[4-(trifluoromethoxy)phenyl]-2-furanyl]methylideneamino]acetamide 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-[(E)-[5-[4-(trifluoromethoxy)phenyl]furan-2-yl]methylideneamino]acetamide 2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-[(E)-[5-[4-(trifluoromethoxy)phenyl]-2-furyl]methyleneamino]acetamide 2-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-[(E)-[5-[4-(trifluoromethyloxy)phenyl]furan-2-yl]methylideneamino]ethanamide
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Formula C21H17F3N6O5
InChI InChI=1S/C21H17F3N6O5/c1-28-18-17(19(32)29(2)20(28)33)30(11-25-18)10-16(31)27-26-9-14-7-8-15(34-14)12-3-5-13(6-4-12)35-21(22,23)24/h3-9,11H,10H2,1-2H3,(H,27,31)/b26-9+
InChIKey PDSRIRUVLZJOKY-JQAMDZJQSA-N
Molecular Weight 490.399 g/mol
SMILES N(\N=C\c1oc(cc1)-c1ccc(cc1)OC(F)(F)F)C(=O)C[n]1cnc2N(C(=O)N(C(=O)c12)C)C
SPLASH splash10-01ox-0972000000-5aaf43dd35522de5f9e1
Source of Spectrum IY-1-4600-0
Wiley ID 1653983