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CHEBI:34952 - Ro 19-4603

ChEBI IDCHEBI:34952
ChEBI NameRo 19-4603
Stars
Last Modified9 March 2018
DownloadsMolfile
FormulaC15H17N3O3S
Net Charge0
Average Mass319.386
Monoisotopic Mass319.09906
SMILESCN1Cc2c(C(=O)OC(C)(C)C)ncn2-c2ccsc2C1=O
InChIInChI=1S/C15H17N3O3S/c1-15(2,3)21-14(20)11-10-7-17(4)13(19)12-9(5-6-22-12)18(10)8-16-11/h5-6,8H,7H2,1-4H3
InChIKeyZIGMMUKDYCABPW-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
Ro 19-4603 (CHEBI:34952) is a tert-butyl ester (CHEBI:140402)
Ro 19-4603 (CHEBI:34952) is a organonitrogen heterocyclic compound (CHEBI:38101)
Ro 19-4603 (CHEBI:34952) is a organosulfur heterocyclic compound (CHEBI:38106)
Synonyms  Source
Ro 19-4603KEGG COMPOUND
RO19-4603KEGG COMPOUND
Manual XrefsDatabases
C13716KEGG COMPOUND
LSM-3815LINCS