Compound Identification
SMILES
O=C(NNC=C1C(SC2=CC=CC=C2)=NC2=CC=CC=[N+]2C1=O)C1=CC=CC=C1
InChIKey
InChIKey=KNZTZUARMNKAOW-UHFFFAOYSA-O
Formula
C22H17N4O2S
Mass
401.46
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
Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives Pyrimidones Pyridinium derivatives Imidothiolactones Vinylogous amides Heteroaromatic compounds Carboxylic acid hydrazides Lactams Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Benzoic acid or derivatives - Aryl thioether - Benzoyl - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyridinium - Pyrimidine - Imidothiolactone - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactam - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Sulfenyl compound - Organic nitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Organic cation - 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