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8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID IjwbbTkKy9v
InChI InChI=1S/C20H25N5O6/c1-22-17-16(18(29)23(2)20(22)30)25(19(21-17)24(8-10-26)9-11-27)12-15(28)13-4-6-14(31-3)7-5-13/h4-7,26-27H,8-12H2,1-3H3
InChIKey CMMIRKORBLPLMY-UHFFFAOYSA-N
Mol Weight 431.45 g/mol
Molecular Formula C20H25N5O6
Exact Mass 431.180484 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LbtKOHW7zVz
Name 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxoethyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Alternate Name(s) 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]-1,3-dimethyl-purine-2,6-dione 8-[bis(2-hydroxyethyl)amino]-7-[2-(4-methoxyphenyl)-2-oxo-ethyl]-1,3-dimethyl-purine-2,6-dione 8-[bis(2-hydroxyethyl)amino]-7-[2-keto-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-xanthine
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Formula C20H25N5O6
InChI InChI=1S/C20H25N5O6/c1-22-17-16(18(29)23(2)20(22)30)25(19(21-17)24(8-10-26)9-11-27)12-15(28)13-4-6-14(31-3)7-5-13/h4-7,26-27H,8-12H2,1-3H3
InChIKey CMMIRKORBLPLMY-UHFFFAOYSA-N
Molecular Weight 431.449 g/mol
SMILES OCCN(CCO)c1nc2c([n]1CC(c1ccc(cc1)OC)=O)C(=O)N(C(N2C)=O)C
SPLASH splash10-000i-3921100000-d946805bb6c664d6720f
Wiley ID 1459960