Compound Identification
SMILES
CC(C)CN1C2=NN(CC3=CC=CC4=CC=CC=C34)C(=C2C(=O)N(C)C1=O)C1=CC=C(NC(C)=O)C=C1
InChIKey
InChIKey=HDIUMRSBIGSBSV-UHFFFAOYSA-N
Formula
C29H29N5O3
Mass
495.583
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
Phenylpyrazoles Acetanilides Naphthalenes Alkaloids and derivatives N-acetylarylamines Pyrazolo[3,4-d]pyrimidines Pyrimidones Vinylogous amides Heteroaromatic compounds Acetamides Ureas Lactams Secondary carboxylic acid amides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenylpyrazole - Xanthine - Acetanilide - Naphthalene - N-acetylarylamine - Pyrazolopyrimidine - Pyrazolo[3,4-d]pyrimidine - Anilide - Alkaloid or derivatives - N-arylamide - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Pyrazole - Acetamide - Vinylogous amide - Azole - Lactam - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - 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