Compound Identification
SMILES
CCOC(=O)N1CCN(CC2=NC3=C(N2CC2=CC=CC(C)=C2)C(=O)N(C)C(=O)N3C)CC1
InChIKey
InChIKey=LLNRIPPMHPTFQX-UHFFFAOYSA-N
Formula
C23H30N6O4
Mass
454.531
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 Piperazine carboxylic acids Aralkylamines N-alkylpiperazines Pyrimidones Toluenes N-substituted imidazoles Heteroaromatic compounds Carbamate esters Vinylogous amides Ureas Lactams Trialkylamines Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Piperazine-1-carboxylic acid - Alkaloid or derivatives - Pyrimidone - Toluene - N-alkylpiperazine - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Carbamic acid ester - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Urea - Lactam - Carbonic acid derivative - Azacycle - Carbonyl group - Hydrocarbon derivative - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Organopnictogen compound - 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