Compound Identification
SMILES
CC#CCN1C(=NC2=C1C(=O)N(CC1=NC(C)=CC3=CC=CC=C13)C(=O)N2C)N(C)CCN
InChIKey
InChIKey=GCAMUJAKGQQBOX-UHFFFAOYSA-N
Formula
C24H27N7O2
Mass
445.527
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 Isoquinolines and derivatives Alkaloids and derivatives Dialkylarylamines Pyrimidones Methylpyridines Aminoimidazoles N-substituted imidazoles Benzenoids Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Monoalkylamines Organic oxides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Isoquinoline - Purinone - Alkaloid or derivatives - Dialkylarylamine - Methylpyridine - Pyrimidone - Aminoimidazole - N-substituted imidazole - Pyridine - Pyrimidine - Benzenoid - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Amine - Primary aliphatic amine - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Primary amine - Organic oxide - 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