Compound Identification
SMILES
ClC1(Cl)C[C@H]1COC(=O)CCC1=NC2=C(C3=C(CCCC3)S2)C(=O)N1
InChIKey
InChIKey=ZHMAZEJRQPIAKG-VIFPVBQESA-N
Formula
C17H18Cl2N2O3S
Mass
401.3
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
Pyrimidones Fatty acid esters Thiophenes Heteroaromatic compounds Lactams Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds Alkyl chlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Fatty acid ester - Pyrimidone - Pyrimidine - Fatty acyl - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Lactam - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Alkyl halide - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Alkyl chloride - Carbonyl group - Organooxygen 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