Compound Identification
SMILES
CCOC(=O)N1CCN(CC1)C(=O)CSC1=NC2=C(SCC2)C(=O)N1C1=CC=C(C=C1)[N+]([O-])=O
InChIKey
InChIKey=JLWQZFXEPDBWPV-UHFFFAOYSA-N
Formula
C21H23N5O6S2
Mass
505.56
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Thienopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Thienopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Thienopyrimidines
Alternative Parents
Piperazine carboxylic acids Nitrobenzenes Nitroaromatic compounds Pyrimidones Alkylarylthioethers Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic salts Organic zwitterions Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Piperazine-1-carboxylic acid - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Piperazine - 1,4-diazinane - Tertiary carboxylic acid amide - Carbamic acid ester - Heteroaromatic compound - Carboxamide group - Lactam - Organic nitro compound - C-nitro compound - Carboxylic acid derivative - Azacycle - Organic oxoazanium - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Sulfenyl compound - Thioether - Organonitrogen compound - Carbonyl group - Organic salt - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic zwitterion - Hydrocarbon derivative - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as thienopyrimidines. These are heterocyclic compounds containing a thiophene ring fused to a pyrimidine ring. Thiophene is 5-membered ring consisting of four carbon atoms and one sulfur 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