Compound Identification
SMILES
CC1CCC2=C(C1)SC1=C2C(=O)NC(CSC2=NN=C(NCC3=CC=CC=C3)S2)=N1
InChIKey
InChIKey=WXXXKBQFJAUTPJ-UHFFFAOYSA-N
Formula
C21H21N5OS3
Mass
455.61
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
Benzylamines Pyrimidones Alkylarylthioethers 2-amino-5-substituted-1,3,4-thiadiazoles Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Benzylamine - Aryl thioether - Pyrimidone - Alkylarylthioether - 2-amino-5-substituted-1,3,4-thiadiazole - Monocyclic benzene moiety - Pyrimidine - 2-amino-1,3,4-thiadiazole - Benzenoid - Heteroaromatic compound - Azole - Thiadiazole - Thiophene - Lactam - Azacycle - Thioether - Sulfenyl compound - Organic oxide - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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