Compound Identification
SMILES
CN1C2=C(N(CC=C(C)C)C(=N2)N2CCCC(N)C2)C(=O)N(CC2=CC(=O)N(C)C3=CC=CC=C23)C1=O
InChIKey
InChIKey=NINHAKRQEMBJMT-UHFFFAOYSA-N
Formula
C27H33N7O3
Mass
503.607
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
-
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
Hydroquinolones 6-oxopurines Hydroquinolines Alkaloids and derivatives Dialkylarylamines Pyrimidones Pyridinones Aminopiperidines Aminoimidazoles Benzenoids N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Monoalkylamines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Dihydroquinolone - Quinoline - Purinone - 6-oxopurine - Dihydroquinoline - Alkaloid or derivatives - Dialkylarylamine - Pyridinone - Pyrimidone - 3-aminopiperidine - Piperidine - Benzenoid - Pyrimidine - Pyridine - N-substituted imidazole - Aminoimidazole - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Lactam - Urea - Azacycle - Organonitrogen compound - Primary aliphatic amine - Organic oxygen compound - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organic oxide - Primary 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