Compound Identification
SMILES
OC(=O)CSCC1=NC(NCC2=CC3=C(OCO3)C=C2)=C2C3=C(CCCC3)SC2=N1
InChIKey
InChIKey=ATICXBVTVNGNAC-UHFFFAOYSA-N
Formula
C21H21N3O4S2
Mass
443.54
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
Benzodioxoles Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Benzenoids Thiophenes Heteroaromatic compounds Sulfenyl compounds Oxacyclic compounds Acetals Monocarboxylic acids and derivatives Azacyclic compounds Dialkylthioethers Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Heteroaromatic compound - Thiophene - Acetal - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Thioether - Oxacycle - Sulfenyl compound - Azacycle - Dialkylthioether - Organooxygen compound - Organosulfur compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Organic oxygen compound - Organonitrogen 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