Compound Identification
SMILES
CC1=CC(=C(NC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2)C=C1)[N+]([O-])=O
InChIKey
InChIKey=WUQUBMDLMFEAHB-UHFFFAOYSA-N
Formula
C19H18N4O4S2
Mass
430.5
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
Anilides Nitrotoluenes Nitrobenzenes N-arylamides Nitroaromatic compounds Alkylarylthioethers Pyrimidones Thiophenes Heteroaromatic compounds Secondary carboxylic acid amides Lactams Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Organic zwitterions Hydrocarbon derivatives Organic salts Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Nitrotoluene - Anilide - Thienopyrimidine - Aryl thioether - Nitroaromatic compound - N-arylamide - Toluene - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Thiophene - Heteroaromatic compound - Secondary carboxylic acid amide - Organic nitro compound - C-nitro compound - Lactam - Carboxamide group - 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 - Thioether - Sulfenyl compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organosulfur compound - Organic salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - 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