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Structure Information
Structure

Compound Identification

SMILES

CCOCC1=NN(CC2=CC=CC=C2)C(=O)C2=C1C1=CC(=NN1C(C)=N2)C1=CC=CC=C1

InChIKey

InChIKey=YKLLPTMXZQKNGA-UHFFFAOYSA-N

Formula

C25H23N5O2

Mass

425.492

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazines

Subclass

Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones

Intermediate Tree Nodes

Not available

Direct Parent

Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-one - Phenylpyrazole - Pyrazolopyrimidine - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Pyrimidine - Benzenoid - Azole - Pyrazole - Heteroaromatic compound - Lactam - Ether - Dialkyl ether - Azacycle - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-ones. These are aromatic heterocyclic compounds containing a pyrimidine fused to both a pyrazole and a pyridazine rings. The resulting ring system carries an oxo group at the 4-position. Here, the pyrimidine ring shares one atom with the pyrazole ring, and no nitrogen atom with the pyrazole ring.

External Descriptors

Not available

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