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5-(Methoxycarbonyl)-7(N)-amino-2,6-dimethyl-3-(p-chlorophenyl)-pyrrolo[2,3-d]pyrimidin-4-one
SpectraBase Compound ID 42KPzfrtDhk
InChI InChI=1S/C16H15ClN4O3/c1-8-12(16(23)24-3)13-14(21(8)18)19-9(2)20(15(13)22)11-6-4-10(17)5-7-11/h4-7H,18H2,1-3H3
InChIKey KYZIFUKUNJJHTF-UHFFFAOYSA-N
Mol Weight 346.77 g/mol
Molecular Formula C16H15ClN4O3
Exact Mass 346.083268 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B9sPBzUC6la
Name 5-(Methoxycarbonyl)-7(N)-amino-2,6-dimethyl-3-(p-chlorophenyl)-pyrrolo[2,3-d]pyrimidin-4-one
Alternate Name(s) 7-Amino-3-(4-chlorophenyl)-2,6-dimethyl-4-oxo-5-pyrrolo[2,3-d]pyrimidinecarboxylic acid methyl ester Methyl 7-amino-3-(4-chlorophenyl)-2,6-dimethyl-4-oxopyrrolo[2,3-d]pyrimidine-5-carboxylate Methyl 7-amino-3-(4-chlorophenyl)-2,6-dimethyl-4-oxo-pyrrolo[2,3-d]pyrimidine-5-carboxylate Methyl 7-azanyl-3-(4-chlorophenyl)-2,6-dimethyl-4-oxidanylidene-pyrrolo[2,3-d]pyrimidine-5-carboxylate
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Formula C16H15ClN4O3
InChI InChI=1S/C16H15ClN4O3/c1-8-12(16(23)24-3)13-14(21(8)18)19-9(2)20(15(13)22)11-6-4-10(17)5-7-11/h4-7H,18H2,1-3H3
InChIKey KYZIFUKUNJJHTF-UHFFFAOYSA-N
Molecular Weight 346.774 g/mol
SMILES N[n]1c2c(c(c1C)C(=O)OC)C(N(C(C)=N2)c1ccc(cc1)Cl)=O
SPLASH splash10-0ik9-0926000000-ad21d7ab884025a2f35b
Source of Spectrum D1-2006-1737-9
Wiley ID 1614105