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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organosulfur heterocyclic compound > 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > 5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester

Preferred term

5-amino-3-(2-methylphenyl)-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid ethyl ester  

Type

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

charge

  • 0

formula

  • C16H15N3O3S

inchi

  • InChI=1S/C16H15N3O3S/c1-3-22-16(21)13-10-8-23-14(17)12(10)15(20)19(18-13)11-7-5-4-6-9(11)2/h4-8H,3,17H2,1-2H3

inchikey

  • SXGQRQVITZAZLR-UHFFFAOYSA-N

mass

  • 329.375

monoisotopicmass

  • 329.08341

smiles

  • CCOC(=O)C1=NN(C(=O)C2=C(SC=C21)N)C3=CC=CC=C3C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:105701

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