CHEBI:30731 - cimetidine S-oxide

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ChEBI Name cimetidine S-oxide ChEBI ID CHEBI:30731 ChEBI ASCII Name cimetidine S-oxide Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H16N6OS Net Charge 0 Average Mass 268.33988 Monoisotopic Mass 268.11063 InChI InChI=1S/C10H16N6OS/c1-8-9(16-7-15-8)5-18(17)4-3-13-10(12-2)14-6-11/h7H,3-5H2,1-2H3,(H,15,16)(H2,12,13,14) InChIKey HOJLJLYVNQFCRE-UHFFFAOYSA-N SMILES CN\C(NCCS(=O)Cc1nc[nH]c1C)=N\C#N ChEBI Ontology Outgoing cimetidine S-oxide (CHEBI:30731) has functional parent cimetidine (CHEBI:3699) cimetidine S-oxide (CHEBI:30731) is a sulfoxide (CHEBI:22063) IUPAC Name 2-cyano-1-methyl-3-(2-{[(5-methyl-1H-imidazol-4-yl)methyl]sulfinyl}ethyl)guanidine Synonym Source Cimetidine sulfoxide ChemIDplus Registry Number Type Source 54237-72-8 CAS Registry Number ChemIDplus Last Modified 23 April 2007