Compound Identification
SMILES
COCCN1C=NC2=C1C(=O)N(CC(=O)NC1=CC=C(C=C1)N(C)C)C(=O)N2CC1=CC=CC=C1
InChIKey
InChIKey=ALKRFNNDTFRXBB-UHFFFAOYSA-N
Formula
C25H28N6O4
Mass
476.537
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 Anilides Aniline and substituted anilines Dialkylarylamines N-arylamides Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Secondary carboxylic acid amides Amino acids and derivatives Ureas Lactams Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - Tertiary aliphatic/aromatic amine - N-arylamide - Dialkylarylamine - Aniline or substituted anilines - Pyrimidone - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Amino acid or derivatives - Urea - Carboxamide group - Tertiary amine - Lactam - Secondary carboxylic acid amide - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Amine - Organic nitrogen 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