Compound Identification
SMILES
CCCN1C2=C(NC(=N2)C2=CC=C(OCC(=O)NC3=CC=CC=C3)C=C2)C(=O)N(CCC)C1=O
InChIKey
InChIKey=PMGIEKWQRPFFJL-UHFFFAOYSA-N
Formula
C25H27N5O4
Mass
461.522
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
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Anilides N-arylamides Phenol ethers Phenoxy compounds Alkyl aryl ethers Pyrimidones Vinylogous amides Heteroaromatic compounds Lactams Secondary carboxylic acid amides Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Secondary carboxylic acid amide - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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