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6-Bromo-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester
SpectraBase Compound ID GbMiWSdTPn2
InChI InChI=1S/C14H17BrN4O4/c1-5-23-13(22)19-8(15)6-7-9(19)16-12(17-10(7)20)18-11(21)14(2,3)4/h6H,5H2,1-4H3,(H2,16,17,18,20,21)
InChIKey MIVNXRZKPXYJLU-UHFFFAOYSA-N
Mol Weight 385.22 g/mol
Molecular Formula C14H17BrN4O4
Exact Mass 384.043318 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C8MeA1QcGS3
Name 6-Bromo-2-[(2,2-dimethyl-1-oxopropyl)amino]-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester
Alternate Name(s) 6-Bromo-4-keto-2-(pivaloylamino)-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylic acid ethyl ester Ethyl 6-bromanyl-2-(2,2-dimethylpropanoylamino)-4-oxidanylidene-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate Ethyl 6-bromo-2-(2,2-dimethylpropanoylamino)-4-oxo-1H-pyrrolo[2,3-d]pyrimidine-7-carboxylate
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Formula C14H17BrN4O4
InChI InChI=1S/C14H17BrN4O4/c1-5-23-13(22)19-8(15)6-7-9(19)16-12(17-10(7)20)18-11(21)14(2,3)4/h6H,5H2,1-4H3,(H2,16,17,18,20,21)
InChIKey MIVNXRZKPXYJLU-UHFFFAOYSA-N
Molecular Weight 385.218 g/mol
SMILES N1C(c2cc([n](c2N=C1NC(C(C)(C)C)=O)C(=O)OCC)Br)=O
SPLASH splash10-06ui-3797000000-3b42e63ff78f33382e4c
Source of Spectrum J-61-1265-25
Wiley ID 1361291