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Chemistry, part 3

Content language

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > alkaloid > quinoline alkaloid > cinchona alkaloid > quinidine barbiturate
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organonitrogen compound > alkaloid > quinoline alkaloid > cinchona alkaloid > quinidine barbiturate

Preferred term

quinidine barbiturate  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C20H24N2O2.C12H12N2O3

inchi

  • InChI=1S/C20H24N2O2.C12H12N2O3/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18;1-2-12(8-6-4-3-5-7-8)9(15)13-11(17)14-10(12)16/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3;3-7H,2H2,1H3,(H2,13,14,15,16,17)

inchikey

  • YHRUERMOPBDCFD-UHFFFAOYSA-N

mass

  • 556.663

monoisotopicmass

  • 556.26857

smiles

  • OC(C1N2CC(C(C1)CC2)C=C)C3=C4C(=NC=C3)C=CC(OC)=C4.O=C1NC(=O)NC(=O)C1(CC)C2=CC=CC=C2

subset

  • 2_STAR

synonym EXACT

  • (5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-(6-methoxyquinolin-4-yl)methanol.5-ethyl-5-phenyl-1,3-diazinane-2,4,6-trione

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:171719

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