Compound Identification
SMILES
CCOC1=C(OCC)C=C(CN2C(SCC(=O)N3C4CCN(C)CC4C4=C3C=CC(C)=C4)=NC3=C2C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=DQWQQZLGVYVIAK-UHFFFAOYSA-N
Formula
C33H40N6O5S
Mass
632.78
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
6-oxopurines Alkaloids and derivatives Indoles and derivatives Phenoxy compounds Phenol ethers Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyrimidones Piperidines N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Amino acids and derivatives Trialkylamines Ureas Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Indole or derivatives - Alkaloid or derivatives - Phenoxy compound - Aryl thioether - Phenol ether - Alkyl aryl ether - Pyrimidone - Aralkylamine - Alkylarylthioether - Monocyclic benzene moiety - N-substituted imidazole - Piperidine - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Tertiary amine - Amino acid or derivatives - Urea - Tertiary aliphatic amine - Carboxamide group - Lactam - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Ether - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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