Compound Identification
SMILES
CCCCC1=NC2=C(N1)C(OCC1=CC=CC=N1)=NC(NC1=CC=CC=C1)=N2
InChIKey
InChIKey=BTIREHXWMHKLQZ-UHFFFAOYSA-N
Formula
C21H22N6O
Mass
374.448
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
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Level 5
Purinones
- Level 6 Hypoxanthines
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Level 5
Purinones
-
Subclass
Purines and purine derivatives
-
Class
Imidazopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Imidazopyrimidines
Subclass
Purines and purine derivatives
Intermediate Tree Nodes
Purinones
Direct Parent
Hypoxanthines
Alternative Parents
Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers Pyridines and derivatives Imidazoles Heteroaromatic compounds Secondary amines Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Hypoxanthine - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Ether - Secondary amine - Azacycle - Organic oxygen compound - Amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as hypoxanthines. These are compounds containing the purine derivative 1H-purin-6(9H)-one. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available