EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109099 - 6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

ChEBI IDCHEBI:109099
ChEBI Name6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Stars
Last Modified11 May 2016
DownloadsMolfile
FormulaC22H20N4O3
Net Charge0
Average Mass388.427
Monoisotopic Mass388.15354
SMILESCOc1cccc(C2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccccc2)c1OC
InChIInChI=1S/C22H20N4O3/c1-13-18-19(15-10-7-11-17(27-2)20(15)28-3)16(12-23)21(24)29-22(18)26(25-13)14-8-5-4-6-9-14/h4-11,19H,24H2,1-3H3
InChIKeyNMWKXTVRWVZUGE-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:109099) is a pyranopyrazole (CHEBI:131903)
6-amino-4-(2,3-dimethoxyphenyl)-3-methyl-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:109099) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-20497LINCS