Compound Identification
SMILES
CCC1=CC=C(C=C1)N1C2=NC3=C(N2C(C)=C1C1=CC=C(C)C=C1)C(=O)N(C)C(=O)N3C
InChIKey
InChIKey=XTKIJGQDDVORHU-UHFFFAOYSA-N
Formula
C25H25N5O2
Mass
427.508
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Toluenes Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 1-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Heteroaromatic compound - Imidazole - 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