Compound Identification
SMILES
CN1C=C(Br)C2=C(N=C(NCC3=CN=CC=C3)N=C12)C(=O)C1=CC=CS1
InChIKey
InChIKey=JQLVXMPSWIWPFF-UHFFFAOYSA-N
Formula
C18H14BrN5OS
Mass
428.31
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidinecarboxylic acids and derivatives
Alternative Parents
Pyrrolo[2,3-d]pyrimidines Thiophene carboxylic acids and derivatives Aryl ketones Aminopyrimidines and derivatives Pyridines and derivatives N-methylpyrroles Aryl bromides Heteroaromatic compounds Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Pyrimidine-6-carboxylic acid or derivatives - Pyrrolopyrimidine - Aryl ketone - Thiophene carboxylic acid or derivatives - Aminopyrimidine - Aryl bromide - Aryl halide - N-methylpyrrole - Pyridine - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Thiophene - Ketone - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).
External Descriptors
Not available