Compound Identification
SMILES
CC(CC1=CC(O)=C(O)C=C1)NCCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=LAFLZDCWCYTSOV-UHFFFAOYSA-N
Formula
C19H25N5O4
Mass
387.44
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 Amphetamines and derivatives 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 Ureas Azacyclic compounds Dialkylamines Hydrocarbon derivatives Organic oxides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Amphetamine or derivatives - 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 - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Lactam - Urea - Secondary amine - Secondary aliphatic amine - Azacycle - Organooxygen compound - Organonitrogen compound - Amine - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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