Compound Identification
SMILES
CCCOC1=CC=C(C=C1)C1NC(CCSC)(C2C1C(=O)N(CC[N+]1=C3C(=NC1)N(C)C(=O)N(C)C3=O)C2=O)C(O)=O
InChIKey
InChIKey=JYFBFZQTGWBWJH-UHFFFAOYSA-O
Formula
C28H35N6O7S
Mass
599.68
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
Phenylpyrrolidines Purinones Alpha amino acids Alkaloids and derivatives Pyrrolidine carboxylic acids Phenoxy compounds Phenol ethers Aralkylamines Pyrimidones Alkyl aryl ethers Imidolactams Pyrrolidine-2-ones N-alkylpyrrolidines N-substituted carboxylic acid imides Dicarboximides Heteroaromatic compounds Vinylogous amides Pyrroles Lactams Amino acids Ureas Sulfenyl compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Dialkylthioethers Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylpyrrolidine - Xanthine - Alpha-amino acid - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Phenoxy compound - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenol ether - Alkyl aryl ether - Pyrimidone - Aralkylamine - Pyrimidine - Monocyclic benzene moiety - Pyrrolidone - 2-pyrrolidone - Imidolactam - Carboxylic acid imide, n-substituted - N-alkylpyrrolidine - Benzenoid - Heteroaromatic compound - Pyrrole - Carboxylic acid imide - Vinylogous amide - Dicarboximide - Pyrrolidine - Amino acid - Amino acid or derivatives - Urea - Lactam - Azacycle - Carboxylic acid derivative - Dialkylthioether - Carboxylic acid - Secondary aliphatic amine - Ether - Sulfenyl compound - Monocarboxylic acid or derivatives - Thioether - Secondary amine - Amine - Hydrocarbon derivative - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Organic cation - 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