Structure Information
Structure

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

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Taxonomic Classification

Taxonomy Tree

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

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

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