Compound Identification
SMILES
CC1(C)OCCN2C(=O)C(OCC3=CC=CC=C3)=C(N=C12)C(=O)NCC1=CC=CC2=C1SC=C2
InChIKey
InChIKey=XMSBNVWJPREHHJ-UHFFFAOYSA-N
Formula
C26H25N3O4S
Mass
475.56
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
1-benzothiophenes 2-heteroaryl carboxamides Pyrimidones Alkyl aryl ethers Benzene and substituted derivatives Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzothiophene - 1-benzothiophene - Pyrimidine-6-carboxylic acid or derivatives - 2-heteroaryl carboxamide - Alkyl aryl ether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Lactam - Carboxamide group - Ether - Dialkyl ether - Carboxylic acid derivative - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - 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