Compound Identification
SMILES
CN1C2=C(N(CC(O)COC3=CC=CC=C3C)C(NN=CC3=CC=C(Cl)C=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=UGPHUSVJUSWSHG-UHFFFAOYSA-N
Formula
C24H25ClN6O4
Mass
496.95
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 Phenol ethers Phenoxy compounds Alkyl aryl ethers Chlorobenzenes Toluenes Pyrimidones N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary alcohols Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Urea - Secondary alcohol - Azacycle - Ether - Hydrazone - Alcohol - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - Organic oxygen compound - Organohalogen 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