Compound Identification
SMILES
CC1=C(C#N)C(=C(S1)C1=NC(NC2=CC(OCCCN3CCC[C@H]3CO)=CC=C2)=NC=C1)C1=CC=CC(=C1)C1=CC=CC=C1
InChIKey
InChIKey=AQTFRRCKCYNURP-PMERELPUSA-N
Formula
C36H35N5O2S
Mass
601.77
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Biphenyls and derivatives
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Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Biphenyls and derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Biphenyls and derivatives
Alternative Parents
Phenoxy compounds Phenol ethers Aniline and substituted anilines Aminopyrimidines and derivatives Alkyl aryl ethers N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Trialkylamines 1,2-aminoalcohols Secondary amines Nitriles Azacyclic compounds Primary alcohols Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Biphenyl - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Pyrimidine - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Tertiary amine - 1,2-aminoalcohol - Tertiary aliphatic amine - Organoheterocyclic compound - Secondary amine - Azacycle - Ether - Carbonitrile - Nitrile - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Amine - Primary alcohol - Alcohol - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as biphenyls and derivatives. These are organic compounds containing to benzene rings linked together by a C-C bond.
External Descriptors
Not available