Compound Identification
SMILES
CCOC(=O)C1=C(N)N(N=C1)C1=C2C(SC=C2C2=CC=CC=C2Cl)=NC=N1
InChIKey
InChIKey=YZPJQZXXKRLCNJ-UHFFFAOYSA-N
Formula
C18H14ClN5O2S
Mass
399.85
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
Pyrazole carboxylic acids and derivatives Chlorobenzenes Pyrimidines and pyrimidine derivatives Aryl chlorides Vinylogous amides Thiophenes Heteroaromatic compounds Carboxylic acid esters Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Pyrazole-4-carboxylic acid or derivatives - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Azole - Heteroaromatic compound - Vinylogous amide - Thiophene - Pyrazole - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - 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