Compound Identification
SMILES
C[C@@H]1CCCN(CC2=NC3=C(N2CCCO)C(=O)N(C)C(=O)N3C)C1
InChIKey
InChIKey=LIEJWPCNLGJJKV-GFCCVEGCSA-N
Formula
C17H27N5O3
Mass
349.435
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 Aralkylamines Pyrimidones N-substituted imidazoles Piperidines Vinylogous amides Heteroaromatic compounds Lactams Trialkylamines Ureas Azacyclic compounds Alkanolamines Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Aralkylamine - N-substituted imidazole - Piperidine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Azacycle - Alkanolamine - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Alcohol - Primary alcohol - Amine - 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