Compound Identification
SMILES
CC[C@H]1N(Cc2ccsc2)c2nc(Nc3ccc(cc3OC)C(=O)NC3CCN(C)CC3)ncc2-n2c(C)nnc12
InChIKey
InChIKey=GEGMKHTYQVNYFV-HSZRJFAPSA-N
Formula
C29H35N9O2S
Mass
573.72
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Aminobenzoic acids and derivatives
Direct Parent
Guanidinobenzoic acids and derivatives
Alternative Parents
Pteridines and derivatives Benzamides Phenoxy compounds Methoxybenzenes Dialkylarylamines Benzoyl derivatives Anisoles Aralkylamines Aminopyrimidines and derivatives Alkyl aryl ethers Piperidines N-acyl amines Imidolactams Thiophenes Heteroaromatic compounds Azoles Trialkylamines Amino acids and derivatives Secondary amines Carboxylic acid amides Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Guanidinobenzoic acid or derivatives - Pteridine - Benzamide - Phenoxy compound - Methoxybenzene - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Phenol ether - Benzoyl - Anisole - Aralkylamine - Aminopyrimidine - Alkyl aryl ether - Imidolactam - Pyrimidine - Piperidine - N-acyl-amine - Heteroaromatic compound - Thiophene - Azole - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Amino acid or derivatives - Azacycle - Organoheterocyclic compound - Secondary amine - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as guanidinobenzoic acids and derivatives. These are aromatic compounds containing a guanidine group linked to the benzene ring of a benzoic acid (or a derivative thereof).
External Descriptors
Not available