Compound Identification
SMILES
CN1C2=C(NC(=N2)C2=CC=C(OCC(=O)NCC3CCCO3)C=C2)C(=O)N(C)C1=O
InChIKey
InChIKey=RTGACEKQEJWTAB-UHFFFAOYSA-N
Formula
C20H23N5O5
Mass
413.434
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
-
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Vinylogous amides Oxolanes Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organonitrogen compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Azole - Vinylogous amide - Imidazole - Oxolane - Carboxamide group - Lactam - Urea - Secondary carboxylic acid amide - Oxacycle - Ether - Dialkyl ether - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen 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