Compound Identification
SMILES
C\C=C\CC1=C(O)N(CC2=CC=CC=C2)C2=NC3=C(N2C1=O)C(=O)N(C)C(=O)N3C
InChIKey
InChIKey=ARNYTQOOMLAITA-SNAWJCMRSA-N
Formula
C21H21N5O4
Mass
407.43
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
-
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 Imidazo[1,2-a]pyrimidines Pyrimidones Hydroxypyrimidines Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Vinylogous acids Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Imidazo[1,2-a]pyrimidine - Alkaloid or derivatives - Pyrimidone - Hydroxypyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Vinylogous acid - Vinylogous amide - Heteroaromatic compound - Urea - Lactam - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - 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