Compound Identification
SMILES
CN1C2=C(N=CN2CC(=O)NC2=CC=C(C=C2)C2=NC3=CC=CC=C3S2)C(=O)N(C)C1=O
InChIKey
InChIKey=BDPTZSKTCQLTHH-UHFFFAOYSA-N
Formula
C22H18N6O3S
Mass
446.49
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 Anilides Benzothiazoles N-arylamides Pyrimidones N-substituted imidazoles Vinylogous amides Heteroaromatic compounds Thiazoles Lactams Secondary carboxylic acid amides Ureas Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Xanthine - 6-oxopurine - Purinone - 1,3-benzothiazole - Alkaloid or derivatives - Anilide - N-arylamide - Pyrimidone - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Thiazole - Vinylogous amide - Lactam - Carboxamide group - Secondary carboxylic acid amide - Urea - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Organopnictogen 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