Compound Identification
SMILES
CC1CCCN2C3C(N=C2N1)N(C)C(=O)N(C)C3=O
InChIKey
InChIKey=PPODQWWZXJDIIT-UHFFFAOYSA-N
Formula
C12H19N5O2
Mass
265.317
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
Purinones Alpha amino acids and derivatives Alkaloids and derivatives Pyrimidones 1,3-diazepanes N-acyl ureas Diazinanes Imidazolines Dicarboximides Guanidines Propargyl-type 1,3-dipolar organic compounds Carboximidamides Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aliphatic heteropolycyclic compounds
Substituents
Xanthine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - 1,3-diazepane - Diazepane - N-acyl urea - Pyrimidone - Ureide - 1,3-diazinane - Pyrimidine - Dicarboximide - 2-imidazoline - Urea - Guanidine - Carbonic acid derivative - Carboximidamide - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Organic 1,3-dipolar compound - Azacycle - Carbonyl group - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Aliphatic 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