Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(S1)N=C(SCC(=O)NCC1=CC=CC=C1Cl)N(CC1=CC3=C(OCO3)C=C1)C2=O
InChIKey
InChIKey=JVOSYEOWFRMRNQ-UHFFFAOYSA-N
Formula
C27H24ClN3O6S2
Mass
586.07
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 Thiophene carboxylic acids and derivatives Pyrimidones Alkylarylthioethers Chlorobenzenes Aryl chlorides Heteroaromatic compounds Secondary carboxylic acid amides Lactams Carboxylic acid esters Sulfenyl compounds Oxacyclic compounds Acetals Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organonitrogen compounds Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyrimidine - Aryl thioether - Thiophene carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Lactam - Thioether - Azacycle - Oxacycle - Acetal - Sulfenyl compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organohalogen compound - Organochloride - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - 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