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CHEBI:44165 - 1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA

Default Structure
ChEBI IDCHEBI:44165
ChEBI Name1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA
Stars
DownloadsMolfile
FormulaC19H18N4O3S
Net Charge0
Average Mass382.445
Monoisotopic Mass382.10996
SMILES[H]Oc1c(C(=O)C([H])([H])[H])c([H])c([H])c(OC([H])([H])[H])c1[C@@]1([H])C([H])([H])[C@@]1([H])N([H])C(=S)N([H])c1nc([H])c(C#N)c([H])c1[H]
InChIInChI=1S/C19H18N4O3S/c1-10(24)12-4-5-15(26-2)17(18(12)25)13-7-14(13)22-19(27)23-16-6-3-11(8-20)9-21-16/h3-6,9,13-14,25H,7H2,1-2H3,(H2,21,22,23,27)/t13-,14+/m0/s1
InChIKeyFSRLCMRWYUJTNT-UONOGXRCSA-N
ChEBI Ontology
Outgoing Relation(s)
1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREA (CHEBI:44165) is a unclassifieds (CHEBI:27189)
Synonyms  Source
1-[(1R,2R)-2-(3-acetyl-2-hydroxy-6-methoxyphenyl)cyclopropyl]-3-(5-cyanopyridin-2-yl)thioureaPDBeChem
1-[2-(3-ACETYL-2-HYDROXY-6-METHOXY-PHENYL)-CYCLOPROPYL]-3-(5-CYANO-PYRIDIN-2-YL)-THIOUREAPDBeChem
Manual XrefsDatabases
MSDPDBeChem