Compound Identification
SMILES
CC1=NC2=C(C3=CC(=NN13)C1=CC=C(C=C1)S(C)(=O)=O)C(C)=NN(CC1=CC=CC=C1)C2=O
InChIKey
InChIKey=AVENPFACFPQQJJ-UHFFFAOYSA-N
Formula
C24H21N5O3S
Mass
459.52
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
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
Phenylpyrazoles Pyrazolopyrimidines Benzenesulfonyl compounds Pyridazinones Pyrimidines and pyrimidine derivatives Sulfones Heteroaromatic compounds Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[1',5':1,6]pyrimido[4,5-d]pyridazin-4-one - Phenylpyrazole - Benzenesulfonyl group - Pyrazolopyrimidine - Pyridazinone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Pyridazine - Azole - Heteroaromatic compound - Sulfonyl - Sulfone - Pyrazole - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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