Compound Identification
SMILES
CC1=C(C)C(=CC=C1)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC1=C(C=C(C=C1)[N+]([O-])=O)C(F)(F)F
InChIKey
InChIKey=JHTKLFBDOGLCDP-UHFFFAOYSA-N
Formula
C25H19F3N4O4S
Mass
528.51
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 Anilides Nitrobenzenes o-Xylenes N-arylamides Nitroaromatic compounds Alkylarylthioethers Pyrimidones Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organofluorides Carbonyl compounds Organic zwitterions Organic salts Alkyl fluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Quinazoline - Trifluoromethylbenzene - Anilide - Nitrobenzene - N-arylamide - Aryl thioether - Nitroaromatic compound - O-xylene - Xylene - Pyrimidone - Alkylarylthioether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Organic nitro compound - Lactam - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Alkyl halide - Hydrocarbon derivative - Organosulfur compound - Organic salt - Organic nitrogen compound - Carbonyl group - Organic oxygen compound - Alkyl fluoride - Organic oxide - Organic zwitterion - 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