CHEBI:190558 - N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N'-phenylurea

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ChEBI Name N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N'-phenylurea
ChEBI ID CHEBI:190558
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C14H12N6O2S
Net Charge 0
Average Mass 328.350
Monoisotopic Mass 328.07424
InChI InChI=1S/C14H12N6O2S/c15-6-9-7-17-14(20-12(9)16)23-8-11(21)19-13(22)18-10-4-2-1-3-5-10/h1-5,7H,8H2,(H2,16,17,20)(H2,18,19,21,22)
InChIKey CJAYYVVZBKGSQL-UHFFFAOYSA-N
SMILES S(CC(=O)NC(=O)NC1=CC=CC=C1)C=2N=C(N)C(=CN2)C#N
Metabolite of Species Details
Rattus norvegicus (NCBI:txid10116) Found in liver (BTO:0000759). See: MetaboLights Study
ChEBI Ontology
Outgoing N-{2-[(4-amino-5-cyano-2-pyrimidinyl)sulfanyl]acetyl}-N'-phenylurea (CHEBI:190558) is a aryl sulfide (CHEBI:35683)
IUPAC Name
2-(4-amino-5-cyanopyrimidin-2-yl)sulanyl-N-(phenylcarbamoyl)acetamide
Manual Xref Database
2094889 ChemSpider
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