Structure Information
Structure

Compound Identification

SMILES

CSC1=CC=C(C=C1)C1=NN2C(=C1)C1=C(N=C2C)C(=O)N(CC2=CC=CC=C2)N=C1C

InChIKey

InChIKey=XRDDIOBEQUOLHU-UHFFFAOYSA-N

Formula

C24H21N5OS

Mass

427.53

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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 - Aryl thioether - Thiophenol ether - Alkylarylthioether - Pyridazinone - Monocyclic benzene moiety - Benzenoid - Pyridazine - Pyrimidine - Azole - Heteroaromatic compound - Pyrazole - Lactam - Azacycle - Sulfenyl compound - Thioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen 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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