Compound Identification
SMILES
CN1C=NN=C1SC1=NC2=C(N1CC1=CC=CC(C)=C1)C(=O)NC(=O)N2C
InChIKey
InChIKey=LZLJCMCODPQHQH-UHFFFAOYSA-N
Formula
C17H17N7O2S
Mass
383.43
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
Diarylthioethers 6-oxopurines Alkaloids and derivatives Toluenes Pyrimidones N-substituted imidazoles Vinylogous amides Triazoles Heteroaromatic compounds Ureas Lactams Sulfenyl compounds Azacyclic compounds Organonitrogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Diarylthioether - Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Toluene - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - 1,2,4-triazole - Lactam - Urea - Azacycle - Thioether - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - 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