4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid

SpectraBase Compound ID	LIHehLiD119
InChI	InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey	TXBJLEYCMGNMNK-UHFFFAOYSA-N Google Search
Mol Weight	298.3 g/mol
Molecular Formula	C15H14N4O3
Exact Mass	298.10659 g/mol

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SpectraBase Spectrum ID	6r7kO3ff1ja
Name	4-[2-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C15H14N4O3
InChI	InChI=1S/C15H14N4O3/c16-15-18-12-11(13(20)19-15)7-10(17-12)6-3-8-1-4-9(5-2-8)14(21)22/h1-2,4-5,7H,3,6H2,(H,21,22)(H4,16,17,18,19,20)
InChIKey	TXBJLEYCMGNMNK-UHFFFAOYSA-N
Molecular Weight	298.302 g/mol
SMILES	N1C(c2c(N=C1N)[nH]c(c2)CCc1ccc(C(=O)O)cc1)=O
SPLASH	splash10-03di-0910000000-6671940f4cf35293eeec
Source of Spectrum	H1-36-1905-21
Synonyms	4-[2-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid 4-[2-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-6-yl)ethyl]benzoic acid
Wiley ID	755446