Compound Identification
SMILES
COC(=O)C1=C(C)NC2=C([C@H]1C1=CC=CC=C1[N+]([O-])=O)C(=O)NC(=S)N2
InChIKey
InChIKey=QWOMQZZKLYJBKI-NSHDSACASA-N
Formula
C16H14N4O5S
Mass
374.37
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 Enoate esters Heteroaromatic compounds Methyl esters Thioureas Lactams Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Enamines Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyridopyrimidine - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Carboxylic acid ester - Lactam - C-nitro compound - Organic nitro compound - Thiourea - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Enamine - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Organic salt - Organic oxygen compound - Organic zwitterion - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Hydrocarbon derivative - Amine - 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