Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=NC2=C(C=C(C)C=C2)C1=O)C(C)N(C)S(=O)(=O)C1=CC=C(C=C1)C(F)(F)F
InChIKey
InChIKey=KCFMVDYGPSEMLE-UHFFFAOYSA-N
Formula
C26H24F3N3O4S
Mass
531.55
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazanaphthalenes
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Subclass
Benzodiazines
- Level 5 Quinazolines
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Subclass
Benzodiazines
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Class
Diazanaphthalenes
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazanaphthalenes
Subclass
Benzodiazines
Intermediate Tree Nodes
Not available
Direct Parent
Quinazolines
Alternative Parents
Trifluoromethylbenzenes Benzenesulfonamides Methoxyanilines Benzenesulfonyl compounds Phenoxy compounds Anisoles Methoxybenzenes Pyrimidones Alkyl aryl ethers Organosulfonamides Aminosulfonyl compounds Heteroaromatic compounds Lactams Azacyclic compounds Organonitrogen compounds Organic oxides Organofluorides Alkyl fluorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzenesulfonamide - Quinazoline - Trifluoromethylbenzene - Methoxyaniline - Benzenesulfonyl group - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Benzenoid - Organosulfonic acid amide - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Lactam - Azacycle - Ether - Organic oxide - Organonitrogen compound - Organofluoride - Organohalogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Alkyl fluoride - Alkyl halide - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as quinazolines. These are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
External Descriptors
Not available