Compound Identification
SMILES
O=C(NCC1=CC2=C(OCC2)C=C1)C1=CC(=NC=N1)C(=O)NCC1=CC=C(S1)C1=CC=CC=N1
InChIKey
InChIKey=DFMILZFCKJYPRO-UHFFFAOYSA-N
Formula
C25H21N5O3S
Mass
471.54
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
Coumarans 2-heteroaryl carboxamides Alkyl aryl ethers 2,5-disubstituted thiophenes Pyridines and derivatives Benzenoids Heteroaromatic compounds Secondary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Coumaran - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - 2,5-disubstituted thiophene - Benzenoid - Pyridine - Heteroaromatic compound - Thiophene - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Oxacycle - Azacycle - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - 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