Compound Identification
SMILES
CCN1C2=NC3=C(N2C=C1C1=CC=CC=C1)C(=O)N(CC(O)CO)C(=O)N3C
InChIKey
InChIKey=NYVNAPYITSIZIT-UHFFFAOYSA-N
Formula
C19H21N5O4
Mass
383.408
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
Phenylimidazoles 6-oxopurines Alkaloids and derivatives Pyrimidones N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Ureas Secondary alcohols 1,2-diols Lactams Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylimidazole - 4-phenylimidazole - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Vinylogous amide - Heteroaromatic compound - Azole - Imidazole - Urea - Secondary alcohol - 1,2-diol - Lactam - Azacycle - Hydrocarbon derivative - Organonitrogen compound - Organic nitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Primary alcohol - Organic oxide - 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