Compound Identification
SMILES
CN1C2=C(N(CCCC3=CC=CC=C3)C(SC3=NN=C(C)S3)=N2)C(=O)NC1=O
InChIKey
InChIKey=YEYQOMXEUZJFDG-UHFFFAOYSA-N
Formula
C18H18N6O2S2
Mass
414.5
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 Pyrimidones N-substituted imidazoles Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Thiadiazoles Lactams Ureas Azacyclic compounds Sulfenyl compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - Diarylthioether - 6-oxopurine - Purinone - Alkaloid or derivatives - Aryl thioether - Pyrimidone - Pyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Benzenoid - Azole - Imidazole - Vinylogous amide - Heteroaromatic compound - Thiadiazole - Lactam - Urea - Azacycle - Sulfenyl compound - Thioether - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - 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