Compound Identification
SMILES
CCSC1=NC(=CC2=NC=CN12)C1=CC(=C(OC)C=C1)S(=O)(=O)N1CCN(CCO)CC1
InChIKey
InChIKey=YIHJWSOFALRUEL-UHFFFAOYSA-N
Formula
C21H27N5O4S2
Mass
477.6
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 Methoxybenzenes Phenoxy compounds N-alkylpiperazines Alkyl aryl ethers Alkylarylthioethers N-substituted imidazoles Organosulfonamides Heteroaromatic compounds Sulfonyls Trialkylamines 1,2-aminoalcohols Sulfenyl compounds Azacyclic compounds Organic oxides Hydrocarbon derivatives Primary alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Benzenesulfonamide - Benzenesulfonyl group - Imidazopyrimidine - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - N-alkylpiperazine - Monocyclic benzene moiety - 1,4-diazinane - N-substituted imidazole - Piperazine - Organosulfonic acid amide - Benzenoid - Sulfonyl - Azole - Imidazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Tertiary amine - 1,2-aminoalcohol - Tertiary aliphatic amine - Thioether - Azacycle - Sulfenyl compound - Alkanolamine - Ether - Amine - Alcohol - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Primary alcohol - Organosulfur compound - Organic oxygen 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