Compound Identification
SMILES
COC(=O)C1CCN(CC1)C(=O)C1=CN=C2SC=C(N2C1=O)C1=CC=CC=C1
InChIKey
InChIKey=HSRPOXSEBUSGTO-UHFFFAOYSA-N
Formula
C20H19N3O4S
Mass
397.45
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
N-acylpiperidines Piperidinecarboxylic acids Pyrimidones Benzene and substituted derivatives Thiazoles Vinylogous amides Methyl esters Heteroaromatic compounds Tertiary carboxylic acid amides Lactams Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
N-acyl-piperidine - Piperidinecarboxylic acid - Pyrimidine-5-carboxylic acid or derivatives - Pyrimidone - Monocyclic benzene moiety - Piperidine - Benzenoid - Heteroaromatic compound - Methyl ester - Thiazole - Tertiary carboxylic acid amide - Vinylogous amide - Azole - Carboxamide group - Carboxylic acid ester - Lactam - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic oxide - 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