Compound Identification
SMILES
COC1=CC=CC2=C1C=C(CO2)C1=NC2=C(N1)C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=VIMKSVHXTHXKPY-UHFFFAOYSA-N
Formula
C17H16N4O4
Mass
340.339
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
1-benzopyrans 6-oxopurines Alkaloids and derivatives Anisoles Pyrimidones Alkyl aryl ethers Vinylogous amides Heteroaromatic compounds Imidazoles Ureas Lactams Azacyclic compounds Oxacyclic compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Benzopyran - Purinone - 1-benzopyran - Alkaloid or derivatives - Anisole - Phenol ether - Alkyl aryl ether - Pyrimidone - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Lactam - Urea - Ether - Oxacycle - Azacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Organic nitrogen 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