Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=CC2=NC(C)=CN2C(NC2=NNC(C)=C2)=N1)S(=O)(=O)NCCO
InChIKey
InChIKey=SIYYCUMKELTSKN-UHFFFAOYSA-N
Formula
C20H23N7O4S
Mass
457.51
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
Benzenesulfonamides Benzenesulfonyl compounds Imidazopyrimidines Anisoles Phenoxy compounds Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Organosulfonamides N-substituted imidazoles Imidolactams Heteroaromatic compounds Aminosulfonyl compounds Pyrazoles Alkanolamines Azacyclic compounds Secondary amines Organic oxides Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Imidazopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Monocyclic benzene moiety - N-substituted imidazole - Imidolactam - Organosulfonic acid amide - Benzenoid - Organic sulfonic acid or derivatives - Pyrazole - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Azole - Heteroaromatic compound - Imidazole - Secondary amine - Azacycle - Ether - Alkanolamine - Organic oxygen compound - Organonitrogen compound - Hydrocarbon derivative - Alcohol - Organooxygen compound - Organic oxide - Organosulfur compound - Amine - Organic nitrogen compound - Primary alcohol - 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