Compound Identification
SMILES
CCCCCCCN1C(OC2=CC=C(C=C2)C#N)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=SUZVRYGVPOTFAV-UHFFFAOYSA-N
Formula
C21H25N5O3
Mass
395.463
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Diarylethers 6-oxopurines Alkaloids and derivatives Benzonitriles Phenol ethers Phenoxy compounds Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Ureas Nitriles Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diaryl ether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Benzonitrile - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ether - Carbonitrile - Azacycle - Nitrile - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Cyanide - Organic nitrogen compound - Hydrocarbon derivative - 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