Compound Identification
SMILES
COCCN1C(=S)S\C(=C/C2=C(NCC3=CC=CO3)NC3=C(C)C=CC=[N+]3C2=O)C1=O
InChIKey
InChIKey=AAWPAMGOHRVBCZ-UHFFFAOYSA-O
Formula
C21H21N4O4S2
Mass
457.54
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
Aminopyrimidines and derivatives Methylpyridines Pyrimidones Secondary alkylarylamines Thiazolidinethiones Pyridinium derivatives Heteroaromatic compounds Furans Cyclic dithiocarbamic acid esters Vinylogous amides Amino acids and derivatives Lactams Tertiary amines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organosulfur compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Aminopyrimidine - Methylpyridine - Pyrimidone - Secondary aliphatic/aromatic amine - Pyridine - Pyridinium - Pyrimidine - Thiazolidinethione - Furan - Cyclic dithiocarbamic acid ester - Heteroaromatic compound - Thiazolidine - Vinylogous amide - Dithiocarbamic acid ester - Tertiary amine - Amino acid or derivatives - Lactam - Secondary amine - Oxacycle - Carboxylic acid derivative - Azacycle - Dialkyl ether - Ether - Organic nitrogen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Amine - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - 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