Compound Identification
SMILES
CCN1C(=O)N(CC2=CC=C(C)C=C2)C2=NN(C(C)=O)C(NC)=C2C1=O
InChIKey
InChIKey=NQZXAVKEPDJYDZ-UHFFFAOYSA-N
Formula
C18H21N5O3
Mass
355.398
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
Pyrazolo[3,4-d]pyrimidines Alkaloids and derivatives Toluenes Pyrimidones Vinylogous amides Pyrazoles Heteroaromatic compounds Acetamides Ureas Lactams Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Alkaloid or derivatives - Toluene - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Acetamide - Vinylogous amide - Lactam - Urea - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic nitrogen compound - 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