Compound Identification
SMILES
CN1C2=C(N(CC(O)CNCC3=CN=CC=C3)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=HKGXCEJNBLNQIH-UHFFFAOYSA-N
Formula
C16H20N6O3
Mass
344.375
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
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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
6-oxopurines Alkaloids and derivatives Pyrimidones Aralkylamines Pyridines and derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds 1,2-aminoalcohols Ureas Secondary alcohols Lactams Azacyclic compounds Dialkylamines Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - N-substituted imidazole - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Secondary alcohol - Lactam - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Alcohol - Organic oxide - 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