Compound Identification
SMILES
OC(=O)CCCCCN1C(=S)SC(=CC2=C(NCC=C)N=C3C=CC=CN3C2=O)C1=O
InChIKey
InChIKey=JIHOCCRDESSXRS-UHFFFAOYSA-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
Medium-chain fatty acids Pyrimidones Aminopyrimidines and derivatives Heterocyclic fatty acids Thiazolidinethiones Pyridines and derivatives Imidolactams Vinylogous amides Cyclic dithiocarbamic acid esters Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids Monocarboxylic acids and derivatives Organosulfur compounds Carbonyl compounds Organic oxides Amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Medium-chain fatty acid - Aminopyrimidine - Heterocyclic fatty acid - Pyrimidone - Pyridine - Pyrimidine - Thiazolidinethione - Fatty acyl - Imidolactam - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Thiazolidine - Dithiocarbamic acid ester - Vinylogous amide - Lactam - Monocarboxylic acid or derivatives - Carboxylic acid - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Carbonyl group - 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