Compound Identification
SMILES
CCCCCN1C(=O)N(CCC2=CC=CC=C2N)C2=C(N(CCNCC(O)CC)C(CC3=CC=CC=C3)N2)C1=O
InChIKey
InChIKey=SMYXICANHDACGA-UHFFFAOYSA-N
Formula
C31H44N6O3
Mass
548.732
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
Purinones Alkaloids and derivatives Aniline and substituted anilines Dialkylarylamines Pyrimidones Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Ureas Secondary alcohols Lactams Dialkylamines Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Purinone - Alkaloid or derivatives - Aniline or substituted anilines - Dialkylarylamine - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - 1,2-aminoalcohol - Lactam - Urea - Secondary alcohol - Secondary aliphatic amine - Azacycle - Secondary amine - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Alcohol - Amine - 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