Compound Identification
SMILES
O=C(OC1=CC=CC=C1)SC1=NC=NC2=C1NC=N2
InChIKey
InChIKey=NTDTWVZMZPREFH-UHFFFAOYSA-N
Formula
C12H8N4O2S
Mass
272.28
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
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
Phenoxy compounds Aryl thioethers Pyrimidines and pyrimidine derivatives Monothioacetals Imidazoles Heteroaromatic compounds Organic thiocarbonic acid derivatives Organic carbonic acids and derivatives Sulfenyl compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
6-thiopurine - Phenoxy compound - Aryl thioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Imidazole - Monothioacetal - Heteroaromatic compound - Carbonic acid derivative - Thiocarbonic acid derivative - Azacycle - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - 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