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CHEBI:119882 - 2-hydroxy-1-(4-methylphenyl)-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone

ChEBI IDCHEBI:119882
ChEBI Name2-hydroxy-1-(4-methylphenyl)-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone
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DownloadsMolfile
FormulaC27H22N3O2
Net Charge+1
Average Mass420.492
Monoisotopic Mass420.17065
SMILESCc1ccc(-n2c(O)c(Cc3ccccc3)c(=O)[n+]3nc(-c4ccccc4)ccc23)cc1
InChIInChI=1S/C27H21N3O2/c1-19-12-14-22(15-13-19)29-25-17-16-24(21-10-6-3-7-11-21)28-30(25)27(32)23(26(29)31)18-20-8-4-2-5-9-20/h2-17H,18H2,1H3/p+1
InChIKeyQJAKIKKJMJHLET-UHFFFAOYSA-O
ChEBI Ontology
Outgoing Relation(s)
2-hydroxy-1-(4-methylphenyl)-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone (CHEBI:119882) is a pyridazines (CHEBI:37921)
2-hydroxy-1-(4-methylphenyl)-7-phenyl-3-(phenylmethyl)-4-pyrimido[1,2-b]pyridazin-5-iumone (CHEBI:119882) is a ring assembly (CHEBI:36820)
Manual XrefsDatabases
LSM-31326LINCS