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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > phthalazines > 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > phthalazines > 4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester

Preferred term

4-oxo-3-phenyl-1-phthalazinecarboxylic acid [2-[(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester  

Type

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

Broader concept

charge

  • 0

formula

  • C21H19N3O6S

inchi

  • InChI=1S/C21H19N3O6S/c25-18(22-14-10-11-31(28,29)13-14)12-30-21(27)19-16-8-4-5-9-17(16)20(26)24(23-19)15-6-2-1-3-7-15/h1-9,14H,10-13H2,(H,22,25)

inchikey

  • LDVMGQIHEPYHJY-UHFFFAOYSA-N

mass

  • 441.459

monoisotopicmass

  • 441.09946

smiles

  • C1CS(=O)(=O)CC1NC(=O)COC(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:121765

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