Compound Identification
SMILES
CN1C2=C(N3C(C)=C(C)OC3=N2)C(=O)N(CC2=C(Cl)C=C(Cl)C=C2)C1=O
InChIKey
InChIKey=CNYSGCQHEZUUIP-UHFFFAOYSA-N
Formula
C17H14Cl2N4O3
Mass
393.22
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 Alkaloids and derivatives Dichlorobenzenes Pyrimidones Aryl chlorides N-substituted imidazoles Vinylogous amides Oxazoles Heteroaromatic compounds Ureas Lactams Oxacyclic compounds Azacyclic compounds Organochlorides Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Benzenoid - Aryl chloride - Pyrimidine - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Vinylogous amide - Oxazole - Heteroaromatic compound - Azole - Imidazole - Urea - Lactam - Oxacycle - Azacycle - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic oxide - 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