Compound Identification
SMILES
CN1C2=C(N(CC(=O)N(C3=NC4=C(N3CC(=O)NC3=CC=C(C)C=C3)C(=O)N(C)C(=O)N4C)C3=CC=C(C)C=C3)C(Cl)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=IGDOECCJRXRQEH-UHFFFAOYSA-N
Formula
C32H31ClN10O6
Mass
687.11
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 Anilides N-arylamides Toluenes Pyrimidones N-substituted imidazoles Aryl chlorides Tertiary carboxylic acid amides Heteroaromatic compounds Vinylogous amides Lactams Ureas Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Toluene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Azole - Heteroaromatic compound - Imidazole - Secondary carboxylic acid amide - Urea - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Organic nitrogen 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