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8-Chloro-1,3-dimethyl-7-[4-(2-methyl-5-nitro-imidazol-1-ylmethyl)-benzyl]-3,7-dihydro-purine-2,6-dione
SpectraBase Compound ID HVdzWkyXbts
InChI InChI=1S/C19H18ClN7O4/c1-11-21-8-14(27(30)31)25(11)9-12-4-6-13(7-5-12)10-26-15-16(22-18(26)20)23(2)19(29)24(3)17(15)28/h4-8H,9-10H2,1-3H3
InChIKey UBLPAQWQZKDNNJ-UHFFFAOYSA-N
Mol Weight 443.85 g/mol
Molecular Formula C19H18ClN7O4
Exact Mass 443.11088 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IILB9d9tKrr
Name 8-Chloro-1,3-dimethyl-7-[4-(2-methyl-5-nitro-imidazol-1-ylmethyl)-benzyl]-3,7-dihydro-purine-2,6-dione
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Formula C19H18ClN7O4
InChI InChI=1S/C19H18ClN7O4/c1-11-21-8-14(27(30)31)25(11)9-12-4-6-13(7-5-12)10-26-15-16(22-18(26)20)23(2)19(29)24(3)17(15)28/h4-8H,9-10H2,1-3H3
InChIKey UBLPAQWQZKDNNJ-UHFFFAOYSA-N
Molecular Weight 443.851 g/mol
SMILES c12c([n](Cc3ccc(C[n]4c(N(=O)=O)cnc4C)cc3)c(n1)Cl)C(=O)N(C(N2C)=O)C
SPLASH splash10-0uxr-4922000000-a90510a27097888225e1
Synonyms 8-Chloro-1,3-dimethyl-7-{4-[(2-methyl-5-nitro-1H-imidazol-1-yl)methyl]benzyl}-3,7-dihydro-1H-purine-2,6-dione
Wiley ID 1454766