Compound Identification
SMILES
CN1C2=C(N(CC=C(C)C)C(=N2)N2CCC[C@@H](N)C2)C(=O)N(CC2=NC3=C(OC4=C3C=C(Cl)C=C4)C(C)=N2)C1=O
InChIKey
InChIKey=QJIBGSTWZBGJFB-GOSISDBHSA-N
Formula
C28H31ClN8O3
Mass
563.06
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 Benzofurans Alkaloids and derivatives Dialkylarylamines Aminopiperidines Pyrimidones Aminoimidazoles N-substituted imidazoles Aryl chlorides Benzenoids Heteroaromatic compounds Furans Vinylogous amides Lactams Ureas Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Monoalkylamines Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Benzofuran - Alkaloid or derivatives - Dialkylarylamine - 3-aminopiperidine - Pyrimidone - Aminoimidazole - Aryl chloride - Aryl halide - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Furan - Imidazole - Lactam - Urea - Oxacycle - Azacycle - Organochloride - Organohalogen compound - Organic oxygen compound - Primary aliphatic amine - Organic oxide - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Primary amine - Hydrocarbon derivative - 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