Structure Information
Structure

Compound Identification

SMILES

OC(=O)C1=CN=CC=C1.C[C@@H]1CN(CCN1[C@H](C1CCN(CC1)S(=O)(=O)C1CC1)C1=CC(F)=CC=C1)C1(C)CCN(CC1)C(=O)C1=C(C)N=CN=C1C

InChIKey

InChIKey=LAJXFGMHXOEFAZ-FPPZZJCBSA-N

Formula

C39H52FN7O5S

Mass

749.95

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidinecarboxylic acids and derivatives

Alternative Parents

Molecular Framework

Not available

Substituents

N-acyl-piperidine - Pyridine carboxylic acid - Pyridine carboxylic acid or derivatives - Pyrimidine-5-carboxylic acid or derivatives - 4-aminopiperidine - Fluorobenzene - Halobenzene - Aralkylamine - N-alkylpiperazine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Piperidine - Pyridine - Benzenoid - Organic sulfonic acid amide - Organosulfonic acid amide - Heteroaromatic compound - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Carboxamide group - Azacycle - Carboxylic acid - Carboxylic acid derivative - Amine - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids and derivatives. These are compounds containing a pyrimidine ring which bears a carboxylic acid group (or a derivative thereof).

External Descriptors

Not available

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