Compound Identification
SMILES
CN1C2=C(N(CC3=CC=C(Cl)C=C3)C(NCC3=CC=C(C)C=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=BZKJBPGGCRZFPS-UHFFFAOYSA-N
Formula
C22H22ClN5O2
Mass
423.9
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 Benzylamines Toluenes Chlorobenzenes Pyrimidones Secondary alkylarylamines N-substituted imidazoles Aminoimidazoles Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylamine - Chlorobenzene - Halobenzene - Pyrimidone - Secondary aliphatic/aromatic amine - Toluene - Benzenoid - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Aminoimidazole - Aryl chloride - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Secondary amine - Azacycle - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organopnictogen 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