3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester (CHEBI:123290)

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ChEBI Name	3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester

ChEBI ID	CHEBI:123290

Stars	This entity has been manually annotated by a third party.

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Formulae

C9H12N2O3S
C9H12N2O3S

Net Charge

Average Mass

228.270

Monoisotopic Mass

228.05686

InChI

InChI=1S/C9H12N2O3S/c1-5-6(3-4-7(12)14-2)8(13)11-9(15)10-5/h3-4H2,1-2H3,(H2,10,11,13,15)

InChIKey

ISRRLTIEWOHRNX-UHFFFAOYSA-N

SMILES

CC1=C(C(=O)NC(=S)N1)CCC(=O)OC

ChEBI Ontology
Outgoing	3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester (CHEBI:123290) is a methyl ester (CHEBI:25248) 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester (CHEBI:123290) is a pyrimidinethione (CHEBI:48546) 3-(6-methyl-4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)propanoic acid methyl ester (CHEBI:123290) is a pyrimidone (CHEBI:38337)

Last Modified

07 April 2016