Compound Identification
SMILES
CN1C2=C(N3CC(=NN(C3=N2)C2=CC=CC=C2)C2=CC=CC=C2)C(=O)N(CC(=O)NN)C1=O
InChIKey
InChIKey=DXRXSDFNVFOQFF-UHFFFAOYSA-N
Formula
C22H20N8O3
Mass
444.455
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 1,2,4-triazines N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Lactams Carboxylic acid hydrazides Hydrazones Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Triazine - Benzenoid - 1,2,4-triazine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Urea - Carboxylic acid hydrazide - Lactam - Azacycle - Carboxylic acid derivative - Hydrazone - Organic nitrogen compound - Organonitrogen compound - Hydrocarbon derivative - Carbonyl group - Organooxygen compound - Organic oxygen compound - 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