Compound Identification
SMILES
Cl.CN1C2=C(N(CCNCCC3=CC(O)=C(O)C=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=AZIYIQQYEYYCNU-UHFFFAOYSA-N
Formula
C17H22ClN5O4
Mass
395.84
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
Catecholamines and derivatives 6-oxopurines Phenethylamines Alkaloids and derivatives Pyrimidones 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Aralkylamines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrochlorides Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Catecholamine - Xanthine - 6-oxopurine - Purinone - Phenethylamine - Alkaloid or derivatives - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Aralkylamine - Benzenoid - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrochloride - 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