CHEBI:108042 - 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester
ChEBI ID CHEBI:108042
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C24H22N4O3S
Net Charge 0
Average Mass 446.523
Monoisotopic Mass 446.14126
InChI InChI=1S/C24H22N4O3S/c1-4-30-24(29)21-19(13-32-23-17(11-25)14(2)10-15(3)28-23)31-22(27)18(12-26)20(21)16-8-6-5-7-9-16/h5-10,20H,4,13,27H2,1-3H3
InChIKey RTKWILSYKYJSQX-UHFFFAOYSA-N
SMILES CCOC(=O)C1=C(OC(=C(C1C2=CC=CC=C2)C#N)N)CSC3=C(C(=CC(=N3)C)C)C#N
ChEBI Ontology
Outgoing 6-amino-5-cyano-2-[[(3-cyano-4,6-dimethyl-2-pyridinyl)thio]methyl]-4-phenyl-4H-pyran-3-carboxylic acid ethyl ester (CHEBI:108042) is a aryl sulfide (CHEBI:35683)
Manual Xref Database
LSM-19419 LINCS
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