Compound Identification
SMILES
CCC1=CC=C(OCC(O)CN2C(NCCCOC)=NC3=C2C(=O)NC(=O)N3C)C=C1
InChIKey
InChIKey=PAPBCVLUDJGDAX-UHFFFAOYSA-N
Formula
C21H29N5O5
Mass
431.493
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 Phenoxy compounds Phenol ethers Alkyl aryl ethers Pyrimidones Aminoimidazoles N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams Secondary alcohols Ureas Dialkyl ethers Azacyclic compounds Hydrocarbon derivatives Amines Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Aminoimidazole - Benzenoid - Heteroaromatic compound - Imidazole - Azole - Vinylogous amide - Lactam - Secondary alcohol - Urea - Ether - Azacycle - Dialkyl ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Amine - Hydrocarbon derivative - Alcohol - 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