Compound Identification
SMILES
COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CS(=O)(=O)N3CCC(CC3)C(O)=O)=N2)C=C1
InChIKey
InChIKey=NJIVTRAYWOJPIW-UHFFFAOYSA-N
Formula
C25H29ClN4O5S2
Mass
565.1
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
Piperidinecarboxylic acids Phenoxy compounds Anisoles Methoxybenzenes Benzylamines Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Organosulfonamides Organic sulfonamides Imidolactams Aryl chlorides Thiophenes Sulfonyls Heteroaromatic compounds Monocarboxylic acids and derivatives Azacyclic compounds Carboxylic acids Hydrocarbon derivatives Organochlorides Amines Organic oxides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Piperidinecarboxylic acid - Thienopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Benzylamine - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Chlorobenzene - Benzenoid - Imidolactam - Organosulfonic acid amide - Monocyclic benzene moiety - Organic sulfonic acid amide - Aryl halide - Pyrimidine - Piperidine - Aryl chloride - Heteroaromatic compound - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Ether - Carboxylic acid - Organosulfur compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Organohalogen compound - Organic nitrogen compound - Hydrocarbon derivative - 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