Compound Identification
SMILES
CN1C2=C(N3CCN(CC4=CC=CO4)C3=N2)C(=O)N(CC2=C(C)C=CC(C)=C2)C1=O
InChIKey
InChIKey=NLKSMFOJNACAIZ-UHFFFAOYSA-N
Formula
C22H23N5O3
Mass
405.458
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 p-Xylenes Dialkylarylamines Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Furans Lactams Ureas Oxacyclic compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - P-xylene - Xylene - Dialkylarylamine - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Azole - Vinylogous amide - Heteroaromatic compound - Imidazole - Furan - Lactam - Urea - Azacycle - Oxacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - 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