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=C2SC(=O)N(CC3=CC=CC=C3)C2=O)=C1
InChIKey
InChIKey=DFPYTZMMKDNFEE-UHFFFAOYSA-N
Formula
C32H25Cl2N5O6S
Mass
678.54
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 Phenoxy compounds Anisoles Methoxybenzenes Dichlorobenzenes Thiazolidinediones Pyrimidones Alkyl aryl ethers Aryl chlorides N-substituted imidazoles Vinylogous amides Dicarboximides Heteroaromatic compounds Ureas Thiocarbamic acid derivatives Lactams Azacyclic compounds Organic oxides Organochlorides Carbonyl compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Anisole - 1,3-dichlorobenzene - Phenol ether - Methoxybenzene - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Thiazolidinedione - Aryl chloride - Benzenoid - Pyrimidine - Aryl halide - N-substituted imidazole - Monocyclic benzene moiety - Vinylogous amide - Heteroaromatic compound - Thiazolidine - Imidazole - Azole - Dicarboximide - Urea - Thiocarbamic acid derivative - Lactam - Azacycle - Ether - Carboxylic acid derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - 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