Compound Identification
SMILES
CC(C)C1=CSC(CCC2=CC3=NC(SCC(N)=O)=C(\C=C\C(O)=O)C(=O)N3C=C2)=N1
InChIKey
InChIKey=KXPGNUWGXFRQEM-GQCTYLIASA-N
Formula
C21H22N4O4S2
Mass
458.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyridopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyridopyrimidines
Alternative Parents
2,4-disubstituted thiazoles Pyrimidones Alkylarylthioethers Vinylogous thioesters Pyridines and derivatives Heteroaromatic compounds Primary carboxylic acid amides Lactams Sulfenyl compounds Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Aryl thioether - 2,4-disubstituted 1,3-thiazole - Pyrimidone - Alkylarylthioether - Pyridine - Pyrimidine - Vinylogous thioester - Heteroaromatic compound - Thiazole - Azole - Carboxamide group - Primary carboxylic acid amide - Lactam - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Carbonyl group - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyridopyrimidines. These are compounds containing a pyridopyrimidine, which consists of a pyridine fused to a pyrimidine. Pyridine is 6-membered ring consisting of five carbon atoms and a nitrogen atom. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available