Compound Identification
SMILES
CN1CCN(CCNC2=NC(NC3=CC(=CC=C3)S(N)(=C)=O)=NC=C2C2=CC(F)=C(NC(=O)NC3=C(F)C=CC(=C3)C(F)(F)F)C=C2)CC1
InChIKey
InChIKey=SRWWPNMKERZDBT-UHFFFAOYSA-N
Formula
C32H34F5N9O2S
Mass
703.74
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
Trifluoromethylbenzenes N-phenylureas Aniline and substituted anilines Aminopyrimidines and derivatives N-methylpiperazines Fluorobenzenes Aryl fluorides Imidolactams Heteroaromatic compounds Ureas Trialkylamines Azacyclic compounds Carbonyl compounds Alkyl fluorides Organic oxides Organofluorides Organosulfur compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
5-phenylpyrimidine - N-phenylurea - Trifluoromethylbenzene - Aniline or substituted anilines - Aminopyrimidine - Halobenzene - Fluorobenzene - N-methylpiperazine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Benzenoid - Imidolactam - Heteroaromatic compound - Tertiary aliphatic amine - Urea - Tertiary amine - Azacycle - Alkyl fluoride - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - 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