Compound Identification
SMILES
Cl.COC1=C(OC)C=C(C=C1)C1=CN=C(SCC(=O)NCC[C@@H]2C[C@@H](CC3=CC(Cl)=C(Cl)C=C3)CN2C(=O)OC(C)(C)C)N=C1
InChIKey
InChIKey=IMLDARRHGJGIBJ-MBUMRYSBSA-N
Formula
C32H39Cl3N4O5S
Mass
698.1
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
Dimethoxybenzenes Pyrrolidine carboxylic acids Phenoxy compounds Anisoles Dichlorobenzenes Alkyl aryl ethers Alkylarylthioethers Aryl chlorides Carbamate esters Heteroaromatic compounds Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrochlorides Organonitrogen compounds Organic oxides Organochlorides Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - 1,2-dichlorobenzene - Phenol ether - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Phenoxy compound - Aryl thioether - Methoxybenzene - Alkylarylthioether - Chlorobenzene - Alkyl aryl ether - Halobenzene - Monocyclic benzene moiety - Benzenoid - Aryl chloride - Aryl halide - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Secondary carboxylic acid amide - Carboxamide group - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Ether - Thioether - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrochloride - Carbonyl group - Organosulfur compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - 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