Compound Identification
SMILES
CN1C2=C(N(CC(=O)NC3=C(C)C=C(C)C=C3Cl)C=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=LWVFDOSGACZSMS-UHFFFAOYSA-N
Formula
C17H18ClN5O3
Mass
375.81
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
6-oxopurines Alkaloids and derivatives Anilides m-Xylenes N-arylamides Pyrimidones Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Anilide - Alkaloid or derivatives - M-xylene - Xylene - N-arylamide - Pyrimidone - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Benzenoid - N-substituted imidazole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Azole - Imidazole - Carboxamide group - Secondary carboxylic acid amide - Urea - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organochloride - Organohalogen 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