Compound Identification
SMILES
O=C1N(CC2=CC=CO2)C(=S)SC1=CC1=C(N=C2C=CC=CN2C1=O)N1CCCC1
InChIKey
InChIKey=JYMMIXYVSVTCDA-UHFFFAOYSA-N
Formula
C21H18N4O3S2
Mass
438.52
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
Dialkylarylamines Aminopyrimidines and derivatives Pyrimidones Thiazolidinethiones Pyridines and derivatives Imidolactams Vinylogous amides Cyclic dithiocarbamic acid esters Pyrrolidines Furans Heteroaromatic compounds Lactams Azacyclic compounds Carboxylic acids and derivatives Oxacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organosulfur compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Dialkylarylamine - Aminopyrimidine - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Thiazolidinethione - Cyclic dithiocarbamic acid ester - Furan - Heteroaromatic compound - Dithiocarbamic acid ester - Vinylogous amide - Thiazolidine - Pyrrolidine - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Amine - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - 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