6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile (CHEBI:116742)

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ChEBI Name	6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile

ChEBI ID	CHEBI:116742

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

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Formula

C13H16N4O2S

Net Charge

Average Mass

292.358

InChI

InChI=1S/C13H16N4O2S/c1-18-7-9-10-12(17-16-9)19-11(15)8(6-14)13(10)2-4-20-5-3-13/h2-5,7,15H2,1H3,(H,16,17)

InChIKey

WNXWUQRVNFZHIJ-UHFFFAOYSA-N

SMILES

COCC1=C2C(=NN1)OC(=C(C23CCSCC3)C#N)N

ChEBI Ontology
Outgoing	6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile (CHEBI:116742) is a nitrile (CHEBI:18379) 6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile (CHEBI:116742) is a organic sulfide (CHEBI:16385) 6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile (CHEBI:116742) is a organosulfur heterocyclic compound (CHEBI:38106) 6-amino-3-(methoxymethyl)-5-spiro[2H-pyrano[2,3-c]pyrazole-4,4'-thiane]carbonitrile (CHEBI:116742) is a oxaspiro compound (CHEBI:37948)

IUPAC Name

6-amino-3-(methoxymethyl)-2',3',5',6'-tetrahydro-2H-spiro[pyrano[2,3-c]pyrazole-4,4'-thiopyran]-5-carbonitrile

Synonym	Source
BRD-K34394171	ChEBI

Last Modified

06 March 2016