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=C(C#N)C2=NC3=CC=CC=C3N2)=C1
InChIKey
InChIKey=PQIAWXJGPNTZOZ-UHFFFAOYSA-N
Formula
C31H23Cl2N7O4
Mass
628.47
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 6-oxopurines Alkaloids and derivatives Benzimidazoles Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactams Ureas Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diaryl ether - 6-oxopurine - Purinone - Benzimidazole - Alkaloid or derivatives - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Halobenzene - Chlorobenzene - Pyrimidone - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl chloride - N-substituted imidazole - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Lactam - Urea - Ether - Azacycle - Carbonitrile - Nitrile - Organonitrogen compound - Organooxygen compound - Cyanide - 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