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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Diazines
-
Superclass
Organoheterocyclic compounds
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
Pyridinecarboxylic acids N-acylpiperidines Aminopiperidines Aralkylamines Fluorobenzenes N-alkylpiperazines Aryl fluorides Organosulfonamides Organic sulfonamides Heteroaromatic compounds Sulfonyls Tertiary carboxylic acid amides Trialkylamines Amino acids and derivatives Carboxylic acids Azacyclic compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides Organofluorides
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