Compound Identification
SMILES
O=C(NC1=NC(=S)C2=C(N1)N=CN2CCOC(=O)C1=CC=CC=C1)C1=CC=CC=C1
InChIKey
InChIKey=LZXNVNAHWSNWGT-UHFFFAOYSA-N
Formula
C21H17N5O3S
Mass
419.46
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 Purinethiones
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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
Purinethiones
Alternative Parents
Benzoic acid esters Benzamides Benzoyl derivatives Pyrimidinethiones N-substituted imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Carboxylic acid esters Azacyclic compounds Organosulfur compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoate ester - Purinethione - Benzamide - Benzoic acid or derivatives - Benzoyl - Pyrimidinethione - Monocyclic benzene moiety - N-substituted imidazole - Pyrimidine - Benzenoid - Heteroaromatic compound - Azole - Imidazole - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as purinethiones. These are purines in which the purine moiety bears a thioketone.
External Descriptors
Not available