Compound Identification
SMILES
CC(N)CCCC(C)(C)O.CN1C2=C(N(C=N2)C(C)=O)C(=O)N(C)C1=O
InChIKey
InChIKey=LJMXVGHKQJDECE-UHFFFAOYSA-N
Formula
C17H29N5O4
Mass
367.45
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
-
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 N-acylimidazoles Carbonylimidazoles Vinylogous amides Tertiary alcohols Heteroaromatic compounds Acetamides Ureas Lactams Azacyclic compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - N-acylimidazole - Imidazole-1-carbonyl group - Pyrimidone - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Tertiary alcohol - Acetamide - Azole - Imidazole - Urea - Lactam - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Primary aliphatic amine - Organooxygen compound - Primary amine - Organic oxygen compound - Organic oxide - Amine - Alcohol - 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