Compound Identification
SMILES
Cl.CCCN1C2=C(NC(=N2)C2CCCC2)C2=NC(CC3=C(F)C(F)=CC=C3)CN2C1=O
InChIKey
InChIKey=WRUKICLSBCEZNR-UHFFFAOYSA-N
Formula
C22H26ClF2N5O
Mass
449.93
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Imidazopyrimidines
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Subclass
Purines and purine derivatives
- Level 5 Purinones
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Subclass
Purines and purine derivatives
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Class
Imidazopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Purinones
Alternative Parents
Pyrimidones Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Imidazoles Imidazolines Ureas Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Carboxamidines Carboximidamides Organopnictogen compounds Carbonyl compounds Organofluorides Hydrocarbon derivatives Hydrochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - Fluorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Aryl fluoride - Heteroaromatic compound - Azole - Imidazole - 2-imidazoline - Urea - Azacycle - Carboxylic acid amidine - Amidine - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available