Compound Identification
SMILES
CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O
InChIKey
InChIKey=SGMIFRQEJVLGKF-UHFFFAOYSA-N
Formula
C21H28N4O4
Mass
400.479
Taxonomic Classification
Taxonomy Tree
-
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
Phenylpropanoic acids 6-oxopurines Aromatic monoterpenoids Bicyclic monoterpenoids Phenylpropanes Alkaloids and derivatives Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acids Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
2-phenylpropanoic-acid - Xanthine - 6-oxopurine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Bicyclic monoterpenoid - Purinone - Phenylpropane - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Carbonyl group - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen 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