Compound Identification
SMILES
CCN1C2=N[C@H](CC3=CC=CC=C3)CN2C2=C(N(CC3=CC(Cl)=C(O)C=C3)C(OCC3=CC=CC=C3)=N2)C1=O
InChIKey
InChIKey=IZTKZRLNXUQDOD-HSZRJFAPSA-N
Formula
C30H28ClN5O3
Mass
542.04
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
O-chlorophenols 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Chlorobenzenes Aryl chlorides N-substituted imidazoles Imidolactams Vinylogous amides Heteroaromatic compounds Imidazolines Guanidines Carboxylic acids and derivatives Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Organochlorides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Purinone - 2-chlorophenol - 2-halophenol - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Halobenzene - Chlorobenzene - Imidolactam - N-substituted imidazole - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Imidazole - 2-imidazoline - Vinylogous amide - Heteroaromatic compound - Azole - Guanidine - Azacycle - Carboxylic acid derivative - Organic 1,3-dipolar compound - Ether - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic oxygen compound - Amine - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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