Compound Identification
SMILES
CCC1(CC)C(=O)NC=CC1=O.CCOC1=CC=C(NC(C)=O)C=C1.CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)C1=C(C)N(C)N(C1=O)C1=CC=CC=C1
InChIKey
InChIKey=FTXBYPJTBQIVJL-UHFFFAOYSA-N
Formula
C41H54N8O7
Mass
770.932
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 N-acetylarylamines Alkaloids and derivatives Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers N-substituted imidazoles Hydropyridines Vinylogous amides Heteroaromatic compounds Acetamides Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Xanthine - Purinone - Acetanilide - 6-oxopurine - N-acetylarylamine - Alkaloid or derivatives - Anilide - Phenoxy compound - N-arylamide - Phenol ether - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - N-substituted imidazole - Hydropyridine - Monocyclic benzene moiety - Heteroaromatic compound - Acetamide - Vinylogous amide - Imidazole - Azole - Urea - Secondary carboxylic acid amide - Lactam - Carboxamide group - Azacycle - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - 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