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1,3,5-trimethyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione
SpectraBase Compound ID Fg9lqUY4bWb
InChI InChI=1S/C16H16N6O2/c1-9-5-7-10(8-6-9)12-17-18-15-19(2)11-13(22(12)15)20(3)16(24)21(4)14(11)23/h5-8H,1-4H3
InChIKey CROFQOQAOZPRRJ-UHFFFAOYSA-N
Mol Weight 324.34 g/mol
Molecular Formula C16H16N6O2
Exact Mass 324.133474 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7KloTsy4QZu
Name 1,3,5-trimethyl-8-(4-methylphenyl)purino[8,9-c][1,2,4]triazole-2,4-dione
Alternate Name(s) 1,3,5-trimethyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-dione 1,3,5-trimethyl-8-(p-tolyl)purino[8,9-c][1,2,4]triazole-2,4-quinone 5,7,9-trimethyl-3-(4-methylphenyl)-5,9-dihydro-6H-[1,2,4]triazolo[4,3-e]purine-6,8(7H)-dione
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Formula C16H16N6O2
InChI InChI=1S/C16H16N6O2/c1-9-5-7-10(8-6-9)12-17-18-15-19(2)11-13(22(12)15)20(3)16(24)21(4)14(11)23/h5-8H,1-4H3
InChIKey CROFQOQAOZPRRJ-UHFFFAOYSA-N
Molecular Weight 324.344 g/mol
SMILES C1=2[n]3c(N(C2C(=O)N(C(N1C)=O)C)C)nnc3-c1ccc(cc1)C
SPLASH splash10-0089-3925000000-bbe4ccad9e4c080825e1
Source of Spectrum AH-134-570-2
Wiley ID 1546896