Compound Identification
SMILES
COC1=CC=CC(=C1)[C@@H](NC1=NC(=NC(=N1)N1CCCC1)N1CCCC1)C1=[N+](C)C=CN1
InChIKey
InChIKey=SSCYGIVTNXYRER-LJQANCHMSA-O
Formula
C23H31N8O
Mass
435.555
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Triazines
-
Subclass
Aminotriazines
-
Level 5
N-aliphatic s-triazines
- Level 6 2-benzylamino-s-triazines
-
Level 5
N-aliphatic s-triazines
-
Subclass
Aminotriazines
-
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
Phenoxy compounds Methoxybenzenes Dialkylarylamines Anisoles Secondary alkylarylamines Alkyl aryl ethers N-substituted imidazoles 1,3,5-triazines Pyrrolidines Heteroaromatic compounds Azacyclic compounds Hydrocarbon derivatives Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
2-benzylamino-s-triazine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Dialkylarylamine - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Monocyclic benzene moiety - 1,3,5-triazine - Benzenoid - N-substituted imidazole - Azole - Imidazole - Heteroaromatic compound - Pyrrolidine - Tertiary amine - Azacycle - Ether - Secondary amine - Amine - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic cation - 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