Compound Identification
SMILES
CCCC1=C(O)N(CC2=CC=C(C=C2)C#N)C2=NC3=C(N2C1=O)C(=O)N(C)C(=O)N3C
InChIKey
InChIKey=ZAIQIZIKSNUVLS-UHFFFAOYSA-N
Formula
C21H20N6O4
Mass
420.429
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
6-oxopurines Alkaloids and derivatives Imidazo[1,2-a]pyrimidines Benzonitriles Pyrimidones Hydroxypyrimidines N-substituted imidazoles Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Imidazo[1,2-a]pyrimidine - Alkaloid or derivatives - Benzonitrile - Hydroxypyrimidine - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Vinylogous acid - Lactam - Urea - Nitrile - Carbonitrile - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Cyanide - 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