Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CCCCC(O)=O)=N2)C=C1
InChIKey
InChIKey=PYHXQKPRNCIMHW-UHFFFAOYSA-N
Formula
C23H26ClN3O3S
Mass
459.99
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
Phenoxy compounds Anisoles Methoxybenzenes Medium-chain fatty acids Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Heterocyclic fatty acids Chlorobenzenes Halogenated fatty acids Aryl chlorides Imidolactams Thiophenes Heteroaromatic compounds Azacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Methoxybenzene - Benzylamine - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Heterocyclic fatty acid - Halogenated fatty acid - Chlorobenzene - Halobenzene - Aryl chloride - Fatty acyl - Benzenoid - Pyrimidine - Imidolactam - Aryl halide - Monocyclic benzene moiety - Fatty acid - Heteroaromatic compound - Thiophene - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Azacycle - Carboxylic acid - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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