Compound Identification
SMILES
COC([O-])=C1[C@H](C2=CC=CC=C2[N+]([O-])=O)C2=C(NC(=S)NC2=O)N=C1C
InChIKey
InChIKey=UZBNQSHAIGUCIT-NSHDSACASA-M
Formula
C16H13N4O5S
Mass
373.36
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
Nitrobenzenes Nitroaromatic compounds 2-Thiopyrimidines Pyrimidones Pyrimidinethiones Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Thioureas Ketene acetals Ketimines Lactams Azacyclic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic oxides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Ketene acetal or derivatives - Thiourea - Organic nitro compound - Ketimine - Lactam - C-nitro compound - Azacycle - Organic oxoazanium - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Imine - 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