Compound Identification
SMILES
COC1=CC=C(\C=N/NC2=NC3=C(N2CC2=CC=CC=C2Cl)C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=ZEBQEEQXFTZSGI-MSXFZWOLSA-N
Formula
C22H21ClN6O3
Mass
452.9
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 Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Hydrazones Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Anisole - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Chlorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Aryl halide - Imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Urea - Lactam - Azacycle - Ether - Hydrazone - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organohalogen 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