Compound Identification
SMILES
NC1(CC2=CC(Cl)=C(Cl)C=C2)NC2=C(N=CN2CCCCCC2CNCCO2)C(=O)N1
InChIKey
InChIKey=AGYFQMLDXRNSMF-UHFFFAOYSA-N
Formula
C21H28Cl2N6O2
Mass
467.4
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
2-heteroaryl carboxamides Dichlorobenzenes Secondary alkylarylamines Aryl chlorides Morpholines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Orthocarboxylic acid derivatives Lactams Ortho amides Oxacyclic compounds Dialkylamines Azacyclic compounds Dialkyl ethers Primary amines Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - 2-heteroaryl carboxamide - 1,2-dichlorobenzene - Halobenzene - Secondary aliphatic/aromatic amine - Chlorobenzene - N-substituted imidazole - Morpholine - Oxazinane - Aryl chloride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Amino acid or derivatives - Lactam - Secondary carboxylic acid amide - Ortho amide - Carboxamide group - Orthocarboxylic acid derivative - Oxacycle - Azacycle - Carboxylic acid derivative - Secondary amine - Dialkyl ether - Secondary aliphatic amine - Ether - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Primary amine - Amine - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - 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