Compound Identification
SMILES
COC1=CC=CC(NC(=O)CSC2=NC=NC3=C2NC=N3)=C1
InChIKey
InChIKey=MTEKGJKAHPNSLU-UHFFFAOYSA-N
Formula
C14H13N5O2S
Mass
315.35
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 6-thiopurines
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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
6-thiopurines
Alternative Parents
Methoxyanilines Anilides Phenoxy compounds N-arylamides Methoxybenzenes Anisoles Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Imidazoles Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-thiopurine - Anilide - Methoxyaniline - Phenol ether - N-arylamide - Phenoxy compound - Aryl thioether - Methoxybenzene - Anisole - Alkylarylthioether - Alkyl aryl ether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Imidazole - Heteroaromatic compound - Azole - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 6-thiopurines. These are compounds containing a purine that carries a thiol group at the 6-position. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
External Descriptors
Not available