Structure Information
Structure

Compound Identification

SMILES

CNC1=NC=NC2=C1C(SC(N)=O)=C(N)N2COCCOC

InChIKey

InChIKey=NLMAYZFQQLVIGI-UHFFFAOYSA-N

Formula

C12H18N6O3S

Mass

326.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Pyrrolo[2,3-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,3-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,3-d]pyrimidine - Aryl thioether - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Substituted pyrrole - Imidolactam - Pyrrole - Heteroaromatic compound - Thiocarbamic acid derivative - Dialkyl ether - Ether - Secondary amine - Azacycle - Sulfenyl compound - Organic oxygen compound - Primary amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.

External Descriptors

Not available

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