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benzoic acid, 4-[[7-[(2,4-dichlorophenyl)methyl]-2,3,6,7-tetrahydro-1,3-dimethyl-2,6-dioxo-1H-purin-8-yl]oxy]-, methyl ester
SpectraBase Compound ID 3Mq2AdW1NRj
InChI InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(23)10-16(13)24)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey NPKGVEYCEUZJML-UHFFFAOYSA-N
Mol Weight 489.32 g/mol
Molecular Formula C22H18Cl2N4O5
Exact Mass 488.065425 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Hce0NY0GMM5
Name 4-[7-(2,4-dichlorobenzyl)-2,6-diketo-1,3-dimethyl-purin-8-yl]oxybenzoic acid methyl ester
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Formula C22H18Cl2N4O5
InChI InChI=1S/C22H18Cl2N4O5/c1-26-18-17(19(29)27(2)22(26)31)28(11-13-4-7-14(23)10-16(13)24)21(25-18)33-15-8-5-12(6-9-15)20(30)32-3/h4-10H,11H2,1-3H3
InChIKey NPKGVEYCEUZJML-UHFFFAOYSA-N
Molecular Weight 489.315 g/mol
SMILES c12c([n](Cc3c(cc(cc3)Cl)Cl)c(n1)Oc1ccc(C(=O)OC)cc1)C(=O)N(C(N2C)=O)C
SPLASH splash10-0bt9-3910000000-49dcb969a55755f5dccc
Synonyms 4-[[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-8-purinyl]oxy]benzoic acid methyl ester Methyl 4-[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-bis(oxidanylidene)purin-8-yl]oxybenzoate Methyl 4-[7-[(2,4-dichlorophenyl)methyl]-1,3-dimethyl-2,6-dioxo-purin-8-yl]oxybenzoate Methyl 4-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl]oxy}benzoate
Wiley ID 1463899