Compound Identification
SMILES
COC1=C(OC2=NC3=C(N2CC2=C(Cl)C=C(Cl)C=C2)C(=O)N(C)C(=O)N3C)C=CC(C=NNC(=O)C2=CC=C(Cl)C=C2)=C1
InChIKey
InChIKey=QCHZBFXOVPIIMO-UHFFFAOYSA-N
Formula
C29H23Cl3N6O5
Mass
641.89
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
Diarylethers 4-halobenzoic acids and derivatives 6-oxopurines Alkaloids and derivatives Phenoxy compounds Anisoles Methoxybenzenes Benzoyl derivatives Dichlorobenzenes Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Carboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - 4-halobenzoic acid or derivatives - Halobenzoic acid or derivatives - Benzoic acid or derivatives - Alkaloid or derivatives - Phenoxy compound - 1,3-dichlorobenzene - Benzoyl - Phenol ether - Anisole - Methoxybenzene - Pyrimidone - Halobenzene - Alkyl aryl ether - Chlorobenzene - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Aryl chloride - Aryl halide - Benzenoid - Imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Urea - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxygen 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