Compound Identification
SMILES
Cl.CCC(CO)NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=RYTNDHULHGJUMG-UHFFFAOYSA-N
Formula
C13H22ClN5O3
Mass
331.8
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-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams 1,2-aminoalcohols Dialkylamines Azacyclic compounds Primary alcohols Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Hydrochloride - Organonitrogen compound - Organooxygen compound - Primary alcohol - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Alcohol - Hydrocarbon derivative - 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