Compound Identification
SMILES
CN(C)CCNS(=O)(=O)C1=CC=C(NC2=NC=CC(=N2)C2=CC=C(NC(=S)NCC3=CC=CC=C3)C=C2)C=C1
InChIKey
InChIKey=CRGSQQKPQMKSQC-UHFFFAOYSA-N
Formula
C28H31N7O2S2
Mass
561.72
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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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
N-phenylthioureas Benzenesulfonamides Benzenesulfonyl compounds Aniline and substituted anilines Aminopyrimidines and derivatives Organosulfonamides Heteroaromatic compounds Aminosulfonyl compounds Trialkylamines Thioureas Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - N-phenylthiourea - Benzenesulfonyl group - Aniline or substituted anilines - Aminopyrimidine - Organosulfonic acid amide - Benzenoid - Monocyclic benzene moiety - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Tertiary aliphatic amine - Thiourea - Tertiary amine - Azacycle - Organosulfur compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Aromatic heteromonocyclic 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