Compound Identification
SMILES
CN1C2=C(N3C=C(N(CCCO)C3=N2)C2=CC=C(Cl)C=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=IWOLQNXJLQVIOW-UHFFFAOYSA-N
Formula
C18H18ClN5O3
Mass
387.82
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Pyrimidones Chlorobenzenes Aryl chlorides N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Alkanolamines Organic oxides Organochlorides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl chloride - Aryl halide - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Lactam - Urea - Azacycle - Alkanolamine - Organochloride - Organohalogen compound - Primary alcohol - Alcohol - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic oxide - 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