Compound Identification
SMILES
NC1=NC2=C(NC=N2)C(SCC#N)=N1
InChIKey
InChIKey=CQKOSDZVZIIFKR-UHFFFAOYSA-N
Formula
C7H6N6S
Mass
206.23
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
-
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
Aminopyrimidines and derivatives Alkylarylthioethers Imidazoles Heteroaromatic compounds Sulfenyl compounds Nitriles Azacyclic compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-thiopurine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Pyrimidine - Azole - Imidazole - Heteroaromatic compound - Carbonitrile - Nitrile - Azacycle - Thioether - Sulfenyl compound - Organonitrogen compound - Organic nitrogen compound - Amine - Organosulfur compound - Primary amine - Cyanide - 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