Compound Identification
SMILES
CCCN1C(=O)N(C(C)C(=O)N2CCN(C)CC2)C2=C(N(CC3=CC=CC=C3)C(=N2)C(C)(C)C)C1=O
InChIKey
InChIKey=RFMXKWYDMFWBSA-UHFFFAOYSA-N
Formula
C27H38N6O3
Mass
494.64
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
-
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 N-methylpiperazines Pyrimidones Benzene and substituted derivatives N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Tertiary carboxylic acid amides Ureas Trialkylamines Lactams Amino acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - N-methylpiperazine - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Pyrimidine - Benzenoid - Vinylogous amide - Tertiary carboxylic acid amide - Heteroaromatic compound - Imidazole - Azole - Tertiary aliphatic amine - Tertiary amine - Urea - Carboxamide group - Lactam - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organic oxide - Amine - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen 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