Compound Identification
SMILES
CN1C2=C(N(CC3=C(Cl)C=C(Cl)C=C3)C(OC3=C4N=CC=CC4=C(Cl)C=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=WNNIAKJOVULVHD-UHFFFAOYSA-N
Formula
C23H16Cl3N5O3
Mass
516.76
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
-
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
Chloroquinolines Diarylethers 6-oxopurines Alkaloids and derivatives Phenol ethers Dichlorobenzenes Pyrimidones Pyridines and derivatives Aryl chlorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Xanthine - Diaryl ether - Chloroquinoline - 6-oxopurine - Purinone - Quinoline - Alkaloid or derivatives - Phenol ether - 1,3-dichlorobenzene - Pyrimidone - Halobenzene - Chlorobenzene - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Pyridine - Aryl chloride - Aryl halide - Benzenoid - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Ether - Azacycle - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - Organonitrogen 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