Compound Identification
SMILES
CC(NCCN1C=NC2=C1C(=O)N(C)C(=O)N2C)C(O)C1=CC=C(O)C=C1
InChIKey
InChIKey=RFGIYABKOOFBNQ-UHFFFAOYSA-N
Formula
C18H23N5O4
Mass
373.413
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 Phenylpropanes 1-hydroxy-2-unsubstituted benzenoids Aralkylamines Pyrimidones N-substituted imidazoles Heteroaromatic compounds Vinylogous amides Lactams 1,2-aminoalcohols Ureas Secondary alcohols Dialkylamines Azacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Phenylpropane - Alkaloid or derivatives - Phenol - 1-hydroxy-2-unsubstituted benzenoid - Pyrimidone - Aralkylamine - Benzenoid - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Secondary alcohol - 1,2-aminoalcohol - Azacycle - Secondary amine - Secondary aliphatic amine - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Aromatic alcohol - Organic oxide - Amine - Organic nitrogen compound - Organic oxygen compound - 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