Compound Identification
SMILES
Cl.CCOC1=CC=C(NC(C)=O)C=C1.CC(=O)OC1=CC=CC=C1C(O)=O.CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C(O)C1=CC=CC=C1)N(C)CC=CC1=CC=CC=C1
InChIKey
InChIKey=GXVYKGFDXIZMAF-UHFFFAOYSA-N
Formula
C46H55ClN6O9
Mass
871.43
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
Acetanilides 6-oxopurines Phenylpropanes N-acetylarylamines Alkaloids and derivatives Styrenes Phenoxy compounds Phenol ethers Pyrimidones Aralkylamines Alkyl aryl ethers N-substituted imidazoles Dicarboxylic acids and derivatives Vinylogous amides Heteroaromatic compounds Acetamides Ureas Trialkylamines Secondary carboxylic acid amides Secondary alcohols Lactams 1,2-aminoalcohols Propargyl-type 1,3-dipolar organic compounds Carboxamidines Azacyclic compounds Organopnictogen compounds Organic oxides Organic chloride salts Hydrochlorides Hydrocarbon derivatives Carbonyl compounds Aromatic alcohols
Molecular Framework
Not available
Substituents
Xanthine - Purinone - Acetanilide - 6-oxopurine - N-acetylarylamine - Alkaloid or derivatives - Anilide - Phenylpropane - Phenoxy compound - N-arylamide - Styrene - Phenol ether - Aralkylamine - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - N-substituted imidazole - Dicarboxylic acid or derivatives - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Vinylogous amide - Imidazole - Azole - Urea - Tertiary aliphatic amine - Tertiary amine - Secondary carboxylic acid amide - Secondary alcohol - Lactam - Carboxamide group - 1,2-aminoalcohol - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Ether - Carboxylic acid derivative - Carboxylic acid amidine - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic chloride salt - Hydrochloride - Organic salt - Aromatic alcohol - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Alcohol - 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