Compound Identification
SMILES
CN1C2N=C(N)N(CC(O)COC3=CC=CC(C)=C3)C2C(=O)N(C)C1=O
InChIKey
InChIKey=HAEMYHGIGQVDSS-UHFFFAOYSA-N
Formula
C17H23N5O4
Mass
361.402
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
Purinones Alpha amino acids and derivatives Alkaloids and derivatives Phenoxy compounds Phenol ethers Toluenes Pyrimidones Alkyl aryl ethers N-acyl ureas Diazinanes Dicarboximides Imidazolines Guanidines Secondary alcohols Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxides Carbonyl compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Alpha-amino acid or derivatives - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Ureide - N-acyl urea - Monocyclic benzene moiety - 1,3-diazinane - Pyrimidine - Benzenoid - 2-imidazoline - Dicarboximide - Guanidine - Secondary alcohol - Urea - Carbonic acid derivative - Carboxylic acid derivative - Ether - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Alcohol - Organic oxygen compound - Organopnictogen compound - Carbonyl group - Organonitrogen compound - Organooxygen 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