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Methyl N-4-[2-(2-amino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidine-6yl)ethyl]benzoate
SpectraBase Compound ID E0NswH70VrV
InChI InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-12-13(18-11)19-16(17)20-14(12)21/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
InChIKey FLHMOCKKQTUFGW-UHFFFAOYSA-N
Mol Weight 312.33 g/mol
Molecular Formula C16H16N4O3
Exact Mass 312.12224 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LvkW53qGbsW
Name Methyl N-4-[2-(2-amino-4(3H)-oxo-7H-pyrrolo[2,3-d]pyrimidine-6yl)ethyl]benzoate
Alternate Name(s) Methyl 4-[2-(2-amino-4-oxo-4,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoate 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid methyl ester Methyl 4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoate Methyl 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoate
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Formula C16H16N4O3
InChI InChI=1S/C16H16N4O3/c1-23-15(22)10-5-2-9(3-6-10)4-7-11-8-12-13(18-11)19-16(17)20-14(12)21/h2-3,5-6,8H,4,7H2,1H3,(H4,17,18,19,20,21)
InChIKey FLHMOCKKQTUFGW-UHFFFAOYSA-N
Molecular Weight 312.329 g/mol
SMILES N1C(c2c(N=C1N)[nH]c(c2)CCc1ccc(C(=O)OC)cc1)=O
SPLASH splash10-03di-0903000000-a7bbb9fd574826fc20ba
Source of Spectrum H1-36-1905-20
Wiley ID 755447