Compound Identification
SMILES
CC1=C(C)C2=C(S1)N=C(NC2=O)C(=CC1=CC=C(O1)C1=C(Cl)C=CC(Cl)=C1)C#N
InChIKey
InChIKey=UMHMLGFDBDNKMG-UHFFFAOYSA-N
Formula
C21H13Cl2N3O2S
Mass
442.31
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
Dichlorobenzenes Pyrimidones Aryl chlorides Thiophenes Heteroaromatic compounds Furans Lactams Oxacyclic compounds Nitriles Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 1,4-dichlorobenzene - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Furan - Heteroaromatic compound - Thiophene - Lactam - Oxacycle - Azacycle - Carbonitrile - Nitrile - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Cyanide - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen 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