Compound Identification
SMILES
CN1C(NCCC[NH+]2CCOCC2)=NC2=C1C(=O)N(CC1=C(Cl)C=C(Cl)C=C1)C(=O)N2C
InChIKey
InChIKey=KNKVLSZPBXRYLA-UHFFFAOYSA-O
Formula
C21H27Cl2N6O3
Mass
482.39
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
6-oxopurines Alkaloids and derivatives Dichlorobenzenes Pyrimidones Aminoimidazoles Aryl chlorides N-substituted imidazoles Morpholines Vinylogous amides Quaternary ammonium salts Heteroaromatic compounds Ureas Trialkylamines Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organochlorides Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Pyrimidone - Halobenzene - Benzenoid - Aryl halide - Morpholine - N-substituted imidazole - Aryl chloride - Monocyclic benzene moiety - Pyrimidine - Aminoimidazole - Oxazinane - Vinylogous amide - Azole - Quaternary ammonium salt - Heteroaromatic compound - Imidazole - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Oxacycle - Azacycle - Ether - Dialkyl ether - Organic nitrogen compound - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic cation - 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