Compound Identification
SMILES
CNS(=O)(=O)C1=CC(OC)=C(C=C1)C1=NC2=C(N1)C(=O)NC(=O)N2
InChIKey
InChIKey=ZQLPWMCBSGKMMK-UHFFFAOYSA-N
Formula
C13H13N5O5S
Mass
351.34
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
Phenylimidazoles 6-oxopurines Benzenesulfonamides Alkaloids and derivatives Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles Pyrimidones Alkyl aryl ethers Organosulfonamides Vinylogous amides Aminosulfonyl compounds Heteroaromatic compounds Ureas Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 2-phenylimidazole - 6-oxopurine - Purinone - Benzenesulfonamide - Alkaloid or derivatives - Benzenesulfonyl group - Phenol ether - Methoxybenzene - Anisole - Phenoxy compound - Alkyl aryl ether - Pyrimidone - Organosulfonic acid amide - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Azole - Heteroaromatic compound - Imidazole - Vinylogous amide - Aminosulfonyl compound - Sulfonyl - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Lactam - Urea - Azacycle - Ether - Organooxygen compound - Organonitrogen compound - Organic oxide - Organosulfur compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen 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