Structure Information
Structure

Compound Identification

SMILES

O=C(OC1=CC=CC=C1)SC1=NC=NC2=C1NC=N2

InChIKey

InChIKey=NTDTWVZMZPREFH-UHFFFAOYSA-N

Formula

C12H8N4O2S

Mass

272.28

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

6-thiopurines

Alternative Parents

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

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