skip to main content

Chemistry, part 3

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > barettin

Preferred term

barettin  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C17H19BrN6O2

inchi

  • InChI=1S/C17H19BrN6O2/c18-10-3-4-11-9(8-22-13(11)7-10)6-14-16(26)23-12(15(25)24-14)2-1-5-21-17(19)20/h3-4,6-8,12,22H,1-2,5H2,(H,23,26)(H,24,25)(H4,19,20,21)/b14-6-/t12-/m0/s1

inchikey

  • YYFNNPXWRXQUPR-JVXNRYDGSA-N

mass

  • 419.283

monoisotopicmass

  • 418.07529

smiles

  • NC(=N)NCCC[C@@H]1NC(=O)/C(NC1=O)=C/C1=CNC2=C1C=CC(Br)=C2

subset

  • 2_STAR

synonym EXACT

  • 2-[3-[(2S,5Z)-5-[(6-bromo-1H-indol-3-yl)methylidene]-3,6-dioxopiperazin-2-yl]propyl]guanidine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:194574

Download this concept:

RDF/XML TURTLE JSON-LD