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8-(5-amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
SpectraBase Compound ID DZZilb3BF4u
InChI InChI=1S/C17H16ClN7O2/c1-22-13-14(23(2)17(27)24(3)15(13)26)20-16(22)25-12(19)8-11(21-25)9-4-6-10(18)7-5-9/h4-8H,19H2,1-3H3
InChIKey OQXGYTHCMPEUJK-UHFFFAOYSA-N
Mol Weight 385.82 g/mol
Molecular Formula C17H16ClN7O2
Exact Mass 385.1054 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 97393WXVLJs
Name 8-(5-amino-3-(4-chlorophenyl)-1H-pyrazol-1-yl)-1,3,7-trimethyl-1H-purine-2,6(3H,7H)-dione
Alternate Name(s) 8-[5-amino-3-(4-chlorophenyl)-1-pyrazolyl]-1,3,7-trimethylpurine-2,6-dione 8-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethylpurine-2,6-dione 8-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione 8-[5-azanyl-3-(4-chlorophenyl)pyrazol-1-yl]-1,3,7-trimethyl-purine-2,6-dione
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Formula C17H16ClN7O2
InChI InChI=1S/C17H16ClN7O2/c1-22-13-14(23(2)17(27)24(3)15(13)26)20-16(22)25-12(19)8-11(21-25)9-4-6-10(18)7-5-9/h4-8H,19H2,1-3H3
InChIKey OQXGYTHCMPEUJK-UHFFFAOYSA-N
Literature Reference DOI 10.1002/ardp.200600118
Molecular Weight 385.815 g/mol
SMILES Nc1[n](-c2nc3N(C)C(=O)N(C(c3[n]2C)=O)C)nc(c1)-c1ccc(cc1)Cl
SPLASH splash10-00kr-8609000000-4611ff6db8f6f1d957c1
Source of Spectrum APC-340-193-7e
Wiley ID 1768807