Compound Identification
SMILES
CCNC(=O)NC1=NC2=CC(=CC(=C2S1)C1=NC=NC=C1)C1=CN=C(N=C1)N1CCC(C)(CC1)C(O)=O
InChIKey
InChIKey=MRGDQBIMOXGTEQ-UHFFFAOYSA-N
Formula
C25H26N8O3S
Mass
518.6
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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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
Piperidinecarboxylic acids Benzothiazoles Dialkylarylamines Aminopyrimidines and derivatives Benzenoids Thiazoles Heteroaromatic compounds Ureas Amino acids Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - 1,3-benzothiazole - Piperidinecarboxylic acid - Dialkylarylamine - Aminopyrimidine - Benzenoid - Piperidine - Heteroaromatic compound - Thiazole - Azole - Amino acid - Amino acid or derivatives - Urea - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Amine - 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