Compound Identification
SMILES
Cl.CC(NCCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C(O)C1=CC(O)=C(O)C=C1
InChIKey
InChIKey=GWCHJXZUWUFRNY-UHFFFAOYSA-N
Formula
C19H26ClN5O5
Mass
439.9
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 Phenylpropanes Alkaloids and derivatives Catechols 1-hydroxy-2-unsubstituted benzenoids 1-hydroxy-4-unsubstituted benzenoids Pyrimidones Aralkylamines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Secondary alcohols Ureas 1,2-aminoalcohols Dialkylamines Azacyclic compounds Hydrochlorides Aromatic alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Phenylpropane - Alkaloid or derivatives - Catechol - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Aralkylamine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Urea - Secondary alcohol - 1,2-aminoalcohol - Lactam - Secondary amine - Azacycle - Secondary aliphatic amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organooxygen compound - Aromatic alcohol - Alcohol - Hydrochloride - 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