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=NN2C=NC3=C(C4=C(CCCC4)S3)C2=O)=C1
InChIKey
InChIKey=KVPQQMJDTJDOCK-UHFFFAOYSA-N
Formula
C32H27Cl2N7O5S
Mass
692.57
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 Thienopyrimidines Anisoles Dichlorobenzenes Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Pyrimidones N-substituted imidazoles Aryl chlorides Heteroaromatic compounds Thiophenes Vinylogous amides Lactams Ureas Azacyclic compounds Organic oxides Hydrocarbon derivatives Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Thienopyrimidine - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Methoxybenzene - Phenol ether - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Pyrimidine - Thiophene - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Urea - Lactam - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organohalogen compound - Organochloride - 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