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(CC(=O)NC3=CC=C(Cl)C=C3)C2=O)=C1
InChIKey
InChIKey=QEMUOZHJIBHURM-UHFFFAOYSA-N
Formula
C33H25Cl3N6O7S
Mass
756.01
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 Alpha amino acids and derivatives 6-oxopurines Anilides Alkaloids and derivatives Anisoles Dichlorobenzenes Methoxybenzenes N-arylamides Phenoxy compounds Alkyl aryl ethers Thiazolidinediones Pyrimidones Aryl chlorides N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Dicarboximides Lactams Thiocarbamic acid derivatives Secondary carboxylic acid amides Ureas Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diaryl ether - 6-oxopurine - Purinone - Alpha-amino acid or derivatives - Anilide - Alkaloid or derivatives - Phenoxy compound - Phenol ether - N-arylamide - 1,3-dichlorobenzene - Anisole - Methoxybenzene - Halobenzene - Pyrimidone - Alkyl aryl ether - Thiazolidinedione - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Pyrimidine - Thiazolidine - Azole - Heteroaromatic compound - Dicarboximide - Vinylogous amide - Imidazole - Lactam - Secondary carboxylic acid amide - Urea - Thiocarbamic acid derivative - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Carbonyl group - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen 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