Compound Identification
SMILES
COC1=CC=C(C=C1)C1=NO[C@H](CN2C(CC3=CC=C(Cl)C=C3)=NC3=C2C(=O)N(C)C(=O)N3C)C1
InChIKey
InChIKey=VWBZRBIQAKYQDG-IBGZPJMESA-N
Formula
C25H24ClN5O4
Mass
493.95
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 Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Isoxazolines Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyrimidone - N-substituted imidazole - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Benzenoid - Isoxazoline - Imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Lactam - Urea - Oxacycle - Azacycle - Ether - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organochloride - 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