Compound Identification
SMILES
CN1C(NN=C(C)COC2=CC(C)=C(Cl)C=C2)=NC2=C1C(=O)N(C)C(=O)N2C
InChIKey
InChIKey=GXWSVFUAWQQARW-UHFFFAOYSA-N
Formula
C18H21ClN6O3
Mass
404.86
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 Phenoxy compounds Phenol ethers Toluenes Pyrimidones Alkyl aryl ethers Chlorobenzenes N-substituted imidazoles Aryl chlorides Vinylogous amides Heteroaromatic compounds Ureas Lactams Azacyclic compounds Hydrazones Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Phenoxy compound - Phenol ether - Alkyl aryl ether - Pyrimidone - Toluene - Chlorobenzene - Halobenzene - Monocyclic benzene moiety - Aryl halide - Benzenoid - Aryl chloride - N-substituted imidazole - Pyrimidine - Heteroaromatic compound - Imidazole - Vinylogous amide - Azole - Lactam - Urea - Azacycle - Ether - Hydrazone - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - 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