Compound Identification
SMILES
CCCCOC1=NC2=C(NC(=O)N2CCCNC2=CC=CC(CC(O)=O)=C2)C(N)=N1
InChIKey
InChIKey=MBBRGFAKCOTGGJ-UHFFFAOYSA-N
Formula
C20H26N6O4
Mass
414.466
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 Purinones
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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
Purinones
Alternative Parents
6-aminopurines Phenylalkylamines Aniline and substituted anilines Secondary alkylarylamines Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Heteroaromatic compounds Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-aminopurine - Purinone - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Secondary aliphatic/aromatic amine - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Imidolactam - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Urea - Carboxylic acid - Ether - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Secondary amine - Organic nitrogen compound - Organonitrogen compound - Carbonyl group - Organooxygen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available