Compound Identification
SMILES
CNC1=NC=NC2=C1C(SC(N)=O)=CN2COCCOC
InChIKey
InChIKey=AYXMMXGIUNVQHQ-UHFFFAOYSA-N
Formula
C12H17N5O3S
Mass
311.36
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
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Class
Pyrrolopyrimidines
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Superclass
Organoheterocyclic compounds
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
Aryl thioethers Secondary alkylarylamines Aminopyrimidines and derivatives Substituted pyrroles Imidolactams Heteroaromatic compounds Thiocarbamic acid derivatives Sulfenyl compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
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 - 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