Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(Cl)C=C3)C(OC3=C(C)C=CC(C)=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=GAEJERNHBVSTAM-UHFFFAOYSA-N
Formula
C22H21ClN4O3
Mass
424.89
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 Xanthines
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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
Xanthines
Alternative Parents
Diarylethers 6-oxopurines Alkaloids and derivatives p-Xylenes Phenoxy compounds Phenol ethers Chlorobenzenes Pyrimidones N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - P-xylene - Xylene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl halide - Monocyclic benzene moiety - Aryl chloride - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Ether - Azacycle - Organic oxide - Organic nitrogen compound - Organochloride - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organooxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.
External Descriptors
Not available