Compound Identification
SMILES
CCOC(=O)C1=C(SC(Cl)=C1Cl)N(C1=CC=CC=N1)C1=NC=C2C=C(Cl)SC2=N1
InChIKey
InChIKey=HOLKFQFTJAJEHV-UHFFFAOYSA-N
Formula
C18H11Cl3N4O2S2
Mass
485.78
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
3,4,5-trisubstituted-2-aminothiophenes Thiophene carboxylic acids and derivatives 2,3,5-trisubstituted thiophenes N-arylated-2-aminothiophenes Aminopyridines and derivatives Aminopyrimidines and derivatives Imidolactams Aryl chlorides Vinylogous halides Vinylogous amides Heteroaromatic compounds Tertiary amines Amino acids and derivatives Carboxylic acid esters Azacyclic compounds Hydrocarbon derivatives Organic oxides Organochlorides Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 3,4,5-trisubstituted-2-aminothiophene - 2,3,5-trisubstituted thiophene - Thiophene carboxylic acid or derivatives - Aminopyridine - Aminopyrimidine - N-arylated-2-aminothiophene - Aryl chloride - Aryl halide - 2-aminothiophene - Imidolactam - Pyridine - Pyrimidine - Heteroaromatic compound - Vinylogous amide - Vinylogous halide - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Tertiary amine - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organochloride - Organohalogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Amine - 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