Compound Identification
SMILES
CC(C)(C)OC(=O)N1CCN(CC1)S(=O)(=O)C1=CN=C2N(C(=O)C(C)(CC3=CC=C(C=C3)C3=CN=CN=C3)N12)C1=CC(Cl)=CC(Cl)=C1
InChIKey
InChIKey=CUCPCGCAJKYHIV-UHFFFAOYSA-N
Formula
C32H33Cl2N7O5S
Mass
698.62
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
Amphetamines and derivatives Piperazine carboxylic acids Dichlorobenzenes Organosulfonamides Aryl chlorides N-substituted imidazoles Tertiary carboxylic acid amides Sulfonyls Carbamate esters Heteroaromatic compounds Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
5-phenylpyrimidine - Amphetamine or derivatives - Piperazine-1-carboxylic acid - 1,3-dichlorobenzene - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Benzenoid - N-substituted imidazole - Organosulfonic acid amide - Piperazine - Azole - Heteroaromatic compound - Carbamic acid ester - Imidazole - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Carboxamide group - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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