Compound Identification
SMILES
C[C@@H](NC(=O)C1=CC(=NC2=CN=CN12)C(=O)NCC1=CC(NC2=C(N)C(=O)C2=O)=C(F)C=C1)C1=CC=C(C=C1)C(O)=O
InChIKey
InChIKey=ZDBPYGRVKBDEDW-CYBMUJFWSA-N
Formula
C28H22FN7O6
Mass
571.525
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
Benzoic acids 2-heteroaryl carboxamides Aniline and substituted anilines Benzoyl derivatives Fluorobenzenes Primary aromatic amines N-substituted imidazoles Aryl fluorides Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids Cyclic ketones Secondary amines Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organofluorides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Benzoyl - Aniline or substituted anilines - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - N-substituted imidazole - Primary aromatic amine - Azole - Heteroaromatic compound - Vinylogous amide - Imidazole - Secondary carboxylic acid amide - Amino acid - Cyclic ketone - Amino acid or derivatives - Carboxamide group - Secondary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Primary amine - Organofluoride - Aromatic heteropolycyclic 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