Compound Identification
SMILES
CN1C2=C(N(CC=C(C)Cl)C(NN=C3C(C(=O)C4=CC=CC=C34)[N+]([O-])=O)=N2)C(=O)N(C)C1=O
InChIKey
InChIKey=WAERZUQYSCYNDH-UHFFFAOYSA-N
Formula
C20H18ClN7O5
Mass
471.86
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
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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
Indanones 6-oxopurines Alkaloids and derivatives Aryl alkyl ketones Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas C-nitro compounds Lactams Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Chloroalkenes Hydrazones Organic oxoazanium compounds Organic salts Organic zwitterions Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indanone - Xanthine - 6-oxopurine - Purinone - Indane - Alkaloid or derivatives - Aryl alkyl ketone - Aryl ketone - Pyrimidone - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Ketone - Lactam - Organic nitro compound - C-nitro compound - Urea - Vinyl chloride - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Haloalkene - Chloroalkene - Organic 1,3-dipolar compound - Vinyl halide - Azacycle - Organic oxoazanium - Hydrazone - Organic oxide - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Organochloride - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - 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