Compound Identification
SMILES
CC(C)(OC1=CC=C(Cl)C=C1)C(O)=O.CN(CCO)CC(O)CN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=WQRIIYUJYVGZJW-UHFFFAOYSA-N
Formula
C23H32ClN5O7
Mass
525.99
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
Phenoxyacetic acid derivatives 6-oxopurines Alkaloids and derivatives Phenol ethers Phenoxy compounds Chlorobenzenes Alkyl aryl ethers Pyrimidones N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Trialkylamines Ureas Lactams Secondary alcohols 1,2-aminoalcohols Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Primary alcohols Organochlorides Carbonyl compounds Organic oxides
Molecular Framework
Not available
Substituents
Phenoxyacetate - Xanthine - Purinone - 6-oxopurine - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Pyrimidone - Chlorobenzene - Halobenzene - Alkyl aryl ether - Aryl chloride - Pyrimidine - N-substituted imidazole - Benzenoid - Aryl halide - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - 1,2-aminoalcohol - Lactam - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary alcohol - Alkanolamine - Ether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Amine - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - 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