Compound Identification
SMILES
CN1C2=C(N3C=C(N(C3=N2)C2=CC=C(O)C=C2)C2=CC=C(C)C=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=CMDMDOHUGVKSGV-UHFFFAOYSA-N
Formula
C22H19N5O3
Mass
401.426
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives 1-hydroxy-2-unsubstituted benzenoids Toluenes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Azacyclic compounds Hydrocarbon derivatives Organooxygen compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 1-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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