2-(2-Methylsulfanyl-4,6-dioxo-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid

SpectraBase Compound ID	AuJNiFxlcfv
InChI	InChI=1S/C9H9N3O4S/c1-17-9-11-6-5(8(16)12-9)3(2-4(13)14)7(15)10-6/h3H,2H2,1H3,(H,13,14)(H2,10,11,12,15,16)
InChIKey	VTEHQPNMBVZWRH-UHFFFAOYSA-N Google Search
Mol Weight	255.25 g/mol
Molecular Formula	C9H9N3O4S
Exact Mass	255.031377 g/mol

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SpectraBase Spectrum ID	FAEM5YrY4p
Name	2-(2-Methylsulfanyl-4,6-dioxo-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl)acetic acid
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C9H9N3O4S
InChI	InChI=1S/C9H9N3O4S/c1-17-9-11-6-5(8(16)12-9)3(2-4(13)14)7(15)10-6/h3H,2H2,1H3,(H,13,14)(H2,10,11,12,15,16)
InChIKey	VTEHQPNMBVZWRH-UHFFFAOYSA-N
Molecular Weight	255.248 g/mol
SMILES	N1C(C2=C(N=C1SC)NC(C2CC(=O)O)=O)=O
SPLASH	splash10-0006-9000000000-e434fae9389400fc3e1b
Source of Spectrum	F-54-5759-3
Synonyms	2-[2-(methylthio)-4,6-dioxo-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetic acid 2-[2-methylsulfanyl-4,6-bis(oxidanylidene)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]ethanoic acid 2-[4,6-diketo-2-(methylthio)-5,7-dihydro-1H-pyrrolo[2,3-d]pyrimidin-5-yl]acetic acid
Wiley ID	807173