CHEBI:107169 - 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester

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ChEBI Name 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester
ChEBI ID CHEBI:107169
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C16H15N3O4S
Net Charge 0
Average Mass 345.375
Monoisotopic Mass 345.07833
InChI InChI=1S/C16H15N3O4S/c1-8-11-12(14(17)24-8)15(20)19(18-13(11)16(21)23-3)9-4-6-10(22-2)7-5-9/h4-7H,17H2,1-3H3
InChIKey JXAGWNZVOPQTCZ-UHFFFAOYSA-N
SMILES CC1=C2C(=C(S1)N)C(=O)N(N=C2C(=O)OC)C3=CC=C(C=C3)OC
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing 5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester (CHEBI:107169) is a aromatic amine (CHEBI:33860)
5-amino-3-(4-methoxyphenyl)-7-methyl-4-oxo-1-thieno[3,4-d]pyridazinecarboxylic acid methyl ester (CHEBI:107169) is a thiophenes (CHEBI:26961)
Manual Xref Database
LSM-18523 LINCS
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