Compound Identification
SMILES
CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CCC1(C(=O)NC(=O)NC1=O)C1=CC=CC=C1
InChIKey
InChIKey=SCJZMQPFXSZCCV-UHFFFAOYSA-N
Formula
C20H22N6O5
Mass
426.433
Taxonomic Classification
Taxonomy Tree
-
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
-
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 Barbituric acid derivatives N-acyl ureas Benzene and substituted derivatives Diazinanes N-substituted imidazoles Heteroaromatic compounds Dicarboximides Vinylogous amides Lactams Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Barbiturate - Alkaloid or derivatives - Ureide - Pyrimidone - N-acyl urea - Monocyclic benzene moiety - Benzenoid - 1,3-diazinane - Pyrimidine - N-substituted imidazole - Heteroaromatic compound - Azole - Vinylogous amide - Dicarboximide - Imidazole - Urea - Lactam - Carbonic acid derivative - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organonitrogen 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