CHEBI:109460 - 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone
ChEBI ID CHEBI:109460
Stars This entity has been manually annotated by a third party.
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Formula C13H11N3O3S
Net Charge 0
Average Mass 289.311
Monoisotopic Mass 289.05211
InChI InChI=1S/C13H11N3O3S/c1-9-5-6-14-13(15-9)20-8-12(17)10-3-2-4-11(7-10)16(18)19/h2-7H,8H2,1H3
InChIKey YCTJDGGSVYNCHN-UHFFFAOYSA-N
SMILES CC1=NC(=NC=C1)SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-]
ChEBI Ontology
Outgoing 2-[(4-methyl-2-pyrimidinyl)thio]-1-(3-nitrophenyl)ethanone (CHEBI:109460) is a aromatic ketone (CHEBI:76224)
Manual Xref Database
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