Compound Identification
SMILES
CN1C2=C(N(CC3=CC=CC=C3Cl)C(=N2)N2CCC[C@@H](N)C2)C(=O)N(CC2=NC(C)=CC3=CC=CC=C23)C1=O
InChIKey
InChIKey=XQRAKJMIYNYGNH-OAQYLSRUSA-N
Formula
C29H30ClN7O2
Mass
544.06
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 Isoquinolines and derivatives Alkaloids and derivatives Dialkylarylamines Pyrimidones Aminopiperidines Methylpyridines Chlorobenzenes Aminoimidazoles N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Isoquinoline - Purinone - Alkaloid or derivatives - Dialkylarylamine - 3-aminopiperidine - Chlorobenzene - Methylpyridine - Halobenzene - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyridine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Lactam - Azacycle - Organic oxygen compound - Primary aliphatic amine - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Amine - Primary amine - Organic nitrogen 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