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CHEBI:49952 - 4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine

Default Structure
ChEBI IDCHEBI:49952
ChEBI Name4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine
Stars
Last Modified17 October 2009
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FormulaC17H11ClN4O
Net Charge0
Average Mass322.755
Monoisotopic Mass322.06214
SMILES[H]c1nc(N([H])[H])nc(-c2c([H])c([H])c3noc(-c4c([H])c([H])c(Cl)c([H])c4[H])c3c2[H])c1[H]
InChIInChI=1S/C17H11ClN4O/c18-12-4-1-10(2-5-12)16-13-9-11(3-6-15(13)22-23-16)14-7-8-20-17(19)21-14/h1-9H,(H2,19,20,21)
InChIKeyAQVFETGXIRKVAQ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-amine (CHEBI:49952) is a unclassifieds (CHEBI:27189)
Synonym  Source
4-[3-(4-chlorophenyl)-2,1-benzisoxazol-5-yl]pyrimidin-2-aminePDBeChem
Manual XrefsDatabases
VX1PDBeChem