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Structure Information
Structure

Compound Identification

SMILES

COC(=O)CN1N=C(C)C2=C(N=C(C)N3N=C(C=C23)C2=CC=CC=C2)C1=O

InChIKey

InChIKey=XNRVPIDHCDYOQD-UHFFFAOYSA-N

Formula

C19H17N5O3

Mass

363.377

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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 - Alpha-amino acid ester - Phenylpyrazole - Alpha-amino acid or derivatives - Pyrazolopyrimidine - Pyridazinone - Monocyclic benzene moiety - Pyridazine - Benzenoid - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Methyl ester - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxide - Organic oxygen compound - 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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