Compound Identification
SMILES
CN1C2=C(N(CCSC3=NC=CC=N3)C(=N2)N2CCC(CC2)C(N)=O)C(=O)NC1=O
InChIKey
InChIKey=VJGWDFDTUGOACK-UHFFFAOYSA-N
Formula
C18H22N8O3S
Mass
430.49
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
6-oxopurines Alkaloids and derivatives Piperidinecarboxamides Dialkylarylamines Pyrimidones Alkylarylthioethers Aminoimidazoles N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Ureas Primary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Organic oxides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - Piperidinecarboxamide - Alkaloid or derivatives - Aryl thioether - Dialkylarylamine - Alkylarylthioether - Pyrimidone - Aminoimidazole - N-substituted imidazole - Piperidine - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Primary carboxylic acid amide - Urea - Carboxamide group - Lactam - Azacycle - Thioether - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organosulfur compound - Hydrocarbon derivative - 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