Compound Identification
SMILES
CN1C(OCC2=CN=CC=C2)=NC2=C1C(=O)N(CC1=C(Cl)C=C(Cl)C=C1)C(=O)N2C
InChIKey
InChIKey=HZFCRFFHGBPIHO-UHFFFAOYSA-N
Formula
C20H17Cl2N5O3
Mass
446.29
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
6-oxopurines Alkaloids and derivatives Dichlorobenzenes Pyrimidones Alkyl aryl ethers Pyridines and derivatives N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-dichlorobenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Lactam - Azacycle - Ether - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - 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