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CHEBI:47043 - 2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE

Default Structure
ChEBI IDCHEBI:47043
ChEBI Name2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE
Stars
DownloadsMolfile
FormulaC21H15ClN6O2S
Net Charge0
Average Mass450.911
Monoisotopic Mass450.06657
SMILES[H]c1nc(SC([H])([H])c2nc3c([H])c([H])c([H])c(Cl)c3c(=O)n2-c2c([H])c([H])c([H])c([H])c2OC([H])([H])[H])c2nc([H])n([H])c2n1
InChIInChI=1S/C21H15ClN6O2S/c1-30-15-8-3-2-7-14(15)28-16(27-13-6-4-5-12(22)17(13)21(28)29)9-31-20-18-19(24-10-23-18)25-11-26-20/h2-8,10-11H,9H2,1H3,(H,23,24,25,26)
InChIKeyUMMYTDJYDSTEMB-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONE (CHEBI:47043) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2-((9H-PURIN-6-YLTHIO)METHYL)-5-CHLORO-3-(2-METHOXYPHENYL)QUINAZOLIN-4(3H)-ONEPDBeChem
5-chloro-3-(2-methoxyphenyl)-2-[(9H-purin-6-ylsulfanyl)methyl]quinazolin-4(3H)-onePDBeChem
Manual XrefsDatabases
039PDBeChem