Compound Identification
SMILES
CCN(CC)CCOC1=NC2=C(NC(=O)N2CC2=CC=CC(CC(=O)OC)=C2)C(N)=N1
InChIKey
InChIKey=ROKPNEADMRRKFV-UHFFFAOYSA-N
Formula
C21H28N6O4
Mass
428.493
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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 Alkyl aryl ethers Aminopyrimidines and derivatives N-substituted imidazoles Imidolactams Benzene and substituted derivatives Methyl esters Heteroaromatic compounds Ureas Trialkylamines Amino acids and derivatives Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Primary amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-aminopurine - Purinone - Alkyl aryl ether - Aminopyrimidine - N-substituted imidazole - Monocyclic benzene moiety - Imidolactam - Benzenoid - Pyrimidine - Imidazole - Heteroaromatic compound - Azole - Methyl ester - Carboxylic acid ester - Amino acid or derivatives - Tertiary amine - Tertiary aliphatic amine - Urea - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - 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