Compound Identification
SMILES
CN1C2=C(N(CC(=O)NCCOC3=C(C)C=C(C)C=C3)C(Cl)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=SNXMXQFWUUZIHG-UHFFFAOYSA-N
Formula
C19H22ClN5O4
Mass
419.87
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 m-Xylenes Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenol ether - Phenoxy compound - Xylene - M-xylene - Pyrimidone - Alkyl aryl ether - Aryl chloride - Benzenoid - N-substituted imidazole - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Imidazole - Vinylogous amide - Heteroaromatic compound - Azole - Lactam - Urea - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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