Compound Identification
SMILES
CCOC(=O)N1CC[NH+](CC2=NC3=C(N2CC2=CC=CC=C2C)C(=O)NC(=O)N3C)CC1
InChIKey
InChIKey=ZOYJAAZKZAKDIF-UHFFFAOYSA-O
Formula
C22H29N6O4
Mass
441.511
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 Toluenes N-alkylpiperazines Pyrimidones N-substituted imidazoles Vinylogous amides Carbamate esters Heteroaromatic compounds Quaternary ammonium salts Trialkylamines Ureas Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Piperazine-1-carboxylic acid - Alkaloid or derivatives - Aralkylamine - N-alkylpiperazine - Pyrimidone - Toluene - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Benzenoid - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Quaternary ammonium salt - Lactam - Tertiary amine - Urea - Tertiary aliphatic amine - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Amine - Organic oxide - Organic oxygen compound - Carbonyl group - Organic cation - 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