Compound Identification
SMILES
COC1=C(OC)C(Cl)=C(\C=C\C2=NC3=C(N2)C(=O)N(C)C(=O)N3C)C=C1
InChIKey
InChIKey=NRTDUBYEUVUYIX-SOFGYWHQSA-N
Formula
C17H17ClN4O4
Mass
376.8
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
6-oxopurines Dimethoxybenzenes Alkaloids and derivatives Styrenes Phenoxy compounds Anisoles Pyrimidones Alkyl aryl ethers Chlorobenzenes Aryl chlorides Vinylogous amides Imidazoles Heteroaromatic compounds Lactams Ureas Azacyclic compounds Organic oxides Organochlorides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Dimethoxybenzene - O-dimethoxybenzene - Alkaloid or derivatives - Phenoxy compound - Methoxybenzene - Anisole - Phenol ether - Styrene - Chlorobenzene - Halobenzene - Alkyl aryl ether - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Urea - Lactam - Ether - Azacycle - Organic oxide - Organochloride - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organohalogen compound - 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