Compound Identification
SMILES
CC(C)CCN1C=NC2=C1C(=O)N(CC(=O)N1CCC3=CC=CC=C13)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=COZDAYTWZFKBNQ-UHFFFAOYSA-N
Formula
C27H29N5O3
Mass
471.561
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 Alkaloids and derivatives Indoles and derivatives Pyrimidones Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Tertiary carboxylic acid amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Indole or derivatives - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Organic nitrogen 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