Compound Identification
SMILES
CCC1=NN=C(NC(=O)C(=O)N2CC3CN(CC3C2)C(=O)C2=CC=C(NC3=NC(NC4(CC4)C4=CC=C(Cl)C=C4)=NC(OCC(F)(F)F)=N3)C=C2)S1
InChIKey
InChIKey=MKMLQBIHFMZURR-UHFFFAOYSA-N
Formula
C33H32ClF3N10O4S
Mass
757.19
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Triazines
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Subclass
Aminotriazines
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Level 5
N-aliphatic s-triazines
- Level 6 2-benzylamino-s-triazines
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Level 5
N-aliphatic s-triazines
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Subclass
Aminotriazines
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Class
Triazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazines
Subclass
Aminotriazines
Intermediate Tree Nodes
N-aliphatic s-triazines
Direct Parent
2-benzylamino-s-triazines
Alternative Parents
Alpha amino acid amides Benzamides 1,3,5-triazine-2,4-diamines Alkoxy-S-triazines N-arylamides N-acylpyrrolidines Aniline and substituted anilines Benzoyl derivatives Alkyl aryl ethers Chlorobenzenes Aryl chlorides Thiadiazoles Tertiary carboxylic acid amides Heteroaromatic compounds Secondary carboxylic acid amides Azacyclic compounds Carbonyl compounds Amines Hydrocarbon derivatives Alkyl fluorides Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2-benzylamino-s-triazine - Alpha-amino acid amide - Alpha-amino acid or derivatives - Benzamide - Benzoic acid or derivatives - 2,4-diamine-s-triazine - Alkoxy-s-triazine - Benzoyl - Aniline or substituted anilines - N-arylamide - N-acylpyrrolidine - Alkyl aryl ether - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - Tertiary carboxylic acid amide - Pyrrolidine - Thiadiazole - Azole - Heteroaromatic compound - Secondary carboxylic acid amide - Carboxamide group - Ether - Azacycle - Carboxylic acid derivative - Organochloride - Organofluoride - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl fluoride - Organic nitrogen compound - Amine - Organonitrogen compound - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2-benzylamino-s-triazines. These are aromatic heterocyclic compounds containing a S-triazine ring, which is N-substituted at the 2-position with a benzylamine.
External Descriptors
Not available