Compound Identification
SMILES
COC1=CC=CC(CNC(=O)C2=NC=NC(=C2)C(=O)NCC2=CC=C(C=C2)S(C)(=O)=O)=C1
InChIKey
InChIKey=GPAKNXAASBAEHY-UHFFFAOYSA-N
Formula
C22H22N4O5S
Mass
454.5
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
Benzenesulfonyl compounds Phenoxy compounds Methoxybenzenes Anisoles 2-heteroaryl carboxamides Alkyl aryl ethers Sulfones Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Benzenesulfonyl group - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Sulfonyl - Sulfone - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Azacycle - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic 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