Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC=C(C)C=C3)C(NN=CC3=CC=NC=C3)=N2)C(=O)NC1=O
InChIKey
InChIKey=KHXNSRRAOQASMY-UHFFFAOYSA-N
Formula
C22H23N7O4
Mass
449.471
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 Xanthines
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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
Xanthines
Alternative Parents
6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Toluenes Alkyl aryl ethers Pyrimidones Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols Lactams Hydrazones Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Secondary alcohol - Lactam - Hydrazone - Ether - Azacycle - Alcohol - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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