Compound Identification
SMILES
[O-][N+](=O)C1=CC=CC(C=NNC2=NC(=NC(NCC3=CC=CC=C3)=N2)N2CCOCC2)=C1
InChIKey
InChIKey=MMCLRBFOWIKQCI-UHFFFAOYSA-N
Formula
C21H22N8O3
Mass
434.46
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
Nitrobenzenes 1,3,5-triazine-2,4-diamines Benzylamines Dialkylarylamines Nitroaromatic compounds 1,3,5-triazines Morpholines Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Hydrazones Organic oxoazanium compounds Organic zwitterions Organic salts Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylamino-s-triazine - Nitrobenzene - 2,4-diamine-s-triazine - Nitroaromatic compound - Benzylamine - Dialkylarylamine - Monocyclic benzene moiety - Morpholine - Oxazinane - 1,3,5-triazine - Benzenoid - Heteroaromatic compound - C-nitro compound - Organic nitro compound - Dialkyl ether - Ether - Hydrazone - Oxacycle - Organic oxoazanium - Azacycle - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Organic oxygen compound - Amine - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Aromatic heteromonocyclic 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