Compound Identification
SMILES
CCCCC1=CN=C(C=C1)C(O)=O.NC1=NC(=O)C2=C(N1)N(COCCO)C=N2
InChIKey
InChIKey=FSHQSOOFMIJYFZ-UHFFFAOYSA-N
Formula
C18H24N6O5
Mass
404.427
Taxonomic Classification
Taxonomy Tree
-
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
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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
6-oxopurines 5-alkyl-2-carboxypyrimidines Pyrimidones Aminopyrimidines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Carboxylic acids Azacyclic compounds Primary amines Primary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
6-oxopurine - 5-alkyl-2-carboxypyrimidine - Hypoxanthine - Pyridine carboxylic acid or derivatives - Pyridine carboxylic acid - Aminopyrimidine - Pyrimidone - Pyrimidine - Pyridine - N-substituted imidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Azacycle - Primary amine - Amine - Hydrocarbon derivative - Alcohol - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - 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