Compound Identification
SMILES
CCCNC(=O)NC(=O)CN1C(=O)N(CC2=CC=CC=C2)C2=C(N(CCOC)C=N2)C1=O
InChIKey
InChIKey=SKFGARAOSBIASV-UHFFFAOYSA-N
Formula
C21H26N6O5
Mass
442.476
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-acyl ureas N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Dicarboximides Lactams Azacyclic compounds Dialkyl ethers Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - N-acyl urea - Pyrimidone - Ureide - N-substituted imidazole - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Dicarboximide - Azole - Vinylogous amide - Imidazole - Urea - Lactam - Carbonic acid derivative - Azacycle - Dialkyl ether - Ether - Carboxylic acid derivative - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organic nitrogen compound - 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