Compound Identification
SMILES
COC1=NC=C(C=N1)C1=CC(OC[C@@H]2CN(CCO2)S(=O)(=O)C2=C(NC3=C2C=C(Cl)C=C3)C(N)=O)=CC=C1
InChIKey
InChIKey=PMTGJSLHKNTGFA-IBGZPJMESA-N
Formula
C25H24ClN5O6S
Mass
558.01
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
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
Phenylpyrimidines
Alternative Parents
Indolecarboxamides and derivatives Indoles 2-heteroaryl carboxamides Pyrrole carboxamides Phenoxy compounds Phenol ethers Alkyl aryl ethers Substituted pyrroles Aryl chlorides Organosulfonamides Morpholines Sulfonyls Heteroaromatic compounds Primary carboxylic acid amides Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organonitrogen compounds Hydrocarbon derivatives Organochlorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Indolecarboxamide derivative - Indolecarboxylic acid derivative - 5-phenylpyrimidine - Indole - Indole or derivatives - 2-heteroaryl carboxamide - Phenoxy compound - Phenol ether - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Alkyl aryl ether - Organosulfonic acid amide - Substituted pyrrole - Monocyclic benzene moiety - Aryl halide - Aryl chloride - Oxazinane - Benzenoid - Morpholine - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Pyrrole - Heteroaromatic compound - Primary carboxylic acid amide - Carboxamide group - Oxacycle - Azacycle - Carboxylic acid derivative - Dialkyl ether - Ether - Organonitrogen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic nitrogen compound - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available