Compound Identification
SMILES
O=C1N=C2NN(C=C2C(=O)N1OS(=O)(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=DQEGHXXQTRXFSZ-UHFFFAOYSA-N
Formula
C17H12N4O5S
Mass
384.37
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
Phenylpyrazoles Benzenesulfonic acids and derivatives Pyrazolo[3,4-d]pyrimidines Benzenesulfonyl compounds Arylsulfonic acids and derivatives Alkaloids and derivatives Pyrimidones Vinylogous amides Sulfonyls Heteroaromatic compounds Lactams Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Phenylpyrazole - Benzenesulfonate - Pyrazolo[3,4-d]pyrimidine - Benzenesulfonyl group - Alkaloid or derivatives - Pyrazolopyrimidine - Arylsulfonic acid or derivatives - Pyrimidone - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Vinylogous amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrazole - Azole - Lactam - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - 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