Compound Identification
SMILES
CN1C2=C(N(CC=C(C)Cl)C(NCCC3=CC=CC=C3)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=KWMZBBBMSTVLLF-UHFFFAOYSA-N
Formula
C19H22ClN5O2
Mass
387.87
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 Pyrimidones Secondary alkylarylamines Aminoimidazoles Benzene and substituted derivatives N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Lactams Ureas Chloroalkenes Vinyl chlorides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Organooxygen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Secondary aliphatic/aromatic amine - Pyrimidone - Aminoimidazole - Pyrimidine - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Vinylogous amide - Imidazole - Azole - Heteroaromatic compound - Urea - Lactam - Azacycle - Chloroalkene - Haloalkene - Vinyl halide - Vinyl chloride - Secondary amine - Organochloride - Organohalogen compound - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organopnictogen 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