Compound Identification
SMILES
[O-][N+](=O)C1=CC=C(C=C1)C(=O)NNC(=O)CSC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1
InChIKey
InChIKey=RBMDIUHVHPUAQI-UHFFFAOYSA-N
Formula
C19H17N5O5S2
Mass
459.5
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
Benzoic acids and derivatives Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Alkylarylthioethers Pyrimidones Thiophenes Heteroaromatic compounds Carboxylic acid hydrazides Lactams Azacyclic compounds Sulfenyl compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organic salts Hydrocarbon derivatives Organic zwitterions Carbonyl compounds Organonitrogen compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Nitrobenzene - Thienopyrimidine - Aryl thioether - Nitroaromatic compound - Benzoyl - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxylic acid hydrazide - Lactam - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Thioether - Carbonyl group - Hydrocarbon derivative - Organic zwitterion - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic oxide - Organic salt - 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