Compound Identification
SMILES
CN1C=C(N=C1C1=C2C(=NN1CC1=C3C=C(Cl)C=CC3=NC=C1)N(CC1CC1)C(=O)N(CC=C)C2=O)C#N
InChIKey
InChIKey=BDAPWZWKTLLUHO-UHFFFAOYSA-N
Formula
C27H23ClN8O2
Mass
526.99
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
Chloroquinolines Alkaloids and derivatives Pyrazolo[3,4-d]pyrimidines 1,2,4-trisubstituted imidazoles Pyrimidones Pyridines and derivatives Aryl chlorides Benzenoids N-substituted imidazoles Pyrazoles Vinylogous amides Heteroaromatic compounds Ureas Lactams Nitriles Azacyclic compounds Organic oxides Organochlorides Organooxygen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Haloquinoline - Chloroquinoline - Xanthine - Quinoline - Pyrazolo[3,4-d]pyrimidine - Pyrazolopyrimidine - Alkaloid or derivatives - 1,2,4-trisubstituted-imidazole - Trisubstituted imidazole - Pyrimidone - Aryl chloride - Aryl halide - N-substituted imidazole - Pyridine - Pyrimidine - Benzenoid - Azole - Pyrazole - Vinylogous amide - Heteroaromatic compound - Imidazole - Lactam - Urea - Azacycle - Carbonitrile - Nitrile - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen 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