Compound Identification
SMILES
CSC1=NC2=C(C(CN=[N+]=[N-])=C(Br)N2CC2=CC=CC=C2)C(SC)=N1
InChIKey
InChIKey=XMHIOTBEDIVQPV-UHFFFAOYSA-N
Formula
C16H15BrN6S2
Mass
435.36
Taxonomic Classification
Taxonomy Tree
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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
Alkylarylthioethers Substituted pyrroles Pyrimidines and pyrimidine derivatives Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Azo imides Azo compounds Sulfenyl compounds Azacyclic compounds Organobromides Organic salts Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Aryl thioether - Alkylarylthioether - Aryl bromide - Aryl halide - Benzenoid - Substituted pyrrole - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Pyrrole - Azo compound - Azo imide - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Organosulfur compound - Organic salt - Organic cation - 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