CHEBI:123206 - 4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile

ChEBI IDCHEBI:123206
ChEBI Name4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile
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DownloadsMolfile
FormulaC12H12N4S
Net Charge0
Average Mass244.323
Monoisotopic Mass244.07827
SMILESN#Cc1c2n(c3c(=S)ncnc13)CCCCC2
InChIInChI=1S/C12H12N4S/c13-6-8-9-4-2-1-3-5-16(9)11-10(8)14-7-15-12(11)17/h7H,1-5H2,(H,14,15,17)
InChIKeyUFOBHGWLEPTLSI-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile (CHEBI:123206) is a organic heterobicyclic compound (CHEBI:27171)
4-sulfanylidene-1,6,7,8,9,10-hexahydropyrimido[3,4]pyrrolo[3,5-a]azepine-11-carbonitrile (CHEBI:123206) is a organonitrogen heterocyclic compound (CHEBI:38101)
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LSM-34648LINCS