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7-(4-chlorophenyl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
SpectraBase Compound ID KzNcaYSkc1n
InChI InChI=1S/C17H16ClN5O3/c1-20-14-13(15(25)21(2)17(20)26)23-9-12(10-3-5-11(18)6-4-10)22(7-8-24)16(23)19-14/h3-6,9,24H,7-8H2,1-2H3
InChIKey GQAUXJGJDBCCTF-UHFFFAOYSA-N
Mol Weight 373.8 g/mol
Molecular Formula C17H16ClN5O3
Exact Mass 373.094167 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Azc5P3h7hUu
Name 7-(4-Chlorophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purino[7,8-a]imidazole-1,3-dione
Alternate Name(s) 7-(4-Chlorophenyl)-6-(2-hydroxyethyl)-2,4-dimethyl-purin[7,8-a]imidazole-1,3-quinone 7-(4-Chlorophenyl)-8-(2-hydroxyethyl)-1,3-dimethyl-1H-imidazo[2,1-f]purine-2,4(3H,8H)-dione
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Formula C17H16ClN5O3
InChI InChI=1S/C17H16ClN5O3/c1-20-14-13(15(25)21(2)17(20)26)23-9-12(10-3-5-11(18)6-4-10)22(7-8-24)16(23)19-14/h3-6,9,24H,7-8H2,1-2H3
InChIKey GQAUXJGJDBCCTF-UHFFFAOYSA-N
Molecular Weight 373.800 g/mol
SMILES OCCN1c2[n](c3c(n2)N(C)C(N(C3=O)C)=O)C=C1c1ccc(cc1)Cl
SPLASH splash10-00di-9856000000-5b210134ead8fdc54457
Wiley ID 1453704