Compound Identification
SMILES
Cl.CN(CC(O)CN1C(NCC2=CC=CC=C2)=NC2=C1C(=O)N(C)C(=O)N2C)CC1=CC=CC=C1
InChIKey
InChIKey=LUZNPUCEJHUEOL-UHFFFAOYSA-N
Formula
C25H31ClN6O3
Mass
499.01
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
6-oxopurines Alkaloids and derivatives Benzylamines Phenylmethylamines Aralkylamines Pyrimidones N-substituted imidazoles Aminoimidazoles Heteroaromatic compounds Vinylogous amides Lactams Trialkylamines 1,2-aminoalcohols Ureas Secondary alcohols Azacyclic compounds Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Benzylamine - Phenylmethylamine - Pyrimidone - Aralkylamine - Aminoimidazole - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Tertiary aliphatic amine - Tertiary amine - Lactam - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Amine - Alcohol - Organic oxygen compound - Hydrochloride - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - 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