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(Br)C=C3)C2=O)=C1
InChIKey
InChIKey=XYQLPHROUSNOEI-UHFFFAOYSA-N
Formula
C33H25BrCl2N6O7S
Mass
800.46
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 Bromobenzenes Pyrimidones N-substituted imidazoles Aryl chlorides Aryl bromides Heteroaromatic compounds Dicarboximides Vinylogous amides Lactams Thiocarbamic acid derivatives Ureas Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organobromides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alpha-amino acid or derivatives - Alkaloid or derivatives - Anilide - Phenoxy compound - Anisole - Phenol ether - 1,3-dichlorobenzene - Methoxybenzene - N-arylamide - Chlorobenzene - Bromobenzene - Halobenzene - Alkyl aryl ether - Thiazolidinedione - Pyrimidone - Aryl bromide - N-substituted imidazole - Benzenoid - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Pyrimidine - Imidazole - Dicarboximide - Vinylogous amide - Thiazolidine - Heteroaromatic compound - Azole - Urea - Thiocarbamic acid derivative - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Azacycle - Ether - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organobromide - 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