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CHEBI:116800 - 2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one

ChEBI IDCHEBI:116800
ChEBI Name2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one
Stars
DownloadsMolfile
FormulaC16H16N4OS
Net Charge0
Average Mass312.398
Monoisotopic Mass312.10448
SMILESO=c1c2c3n(c(=S)nc2nn1-c1ccccc1)CCCCC3
InChIInChI=1S/C16H16N4OS/c21-15-13-12-9-5-2-6-10-19(12)16(22)17-14(13)18-20(15)11-7-3-1-4-8-11/h1,3-4,7-8H,2,5-6,9-10H2,(H,17,18,22)
InChIKeyQUUZUIMRZFXPLL-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one (CHEBI:116800) is a pyrazoles (CHEBI:26410)
2-phenyl-5-sulfanylidene-3,7,8,9,10,11-hexahydropyrazolo[4,5]pyrimido[3,5-a]azepin-1-one (CHEBI:116800) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-28252LINCS