Compound Identification
SMILES
NCCO.COC1=C(Cl)C=C(CNC2=C3C4=C(CCCC4)SC3=NC(CCCCC(O)=O)=N2)C=C1
InChIKey
InChIKey=LPJFPNNBLADWHI-UHFFFAOYSA-N
Formula
C25H33ClN4O4S
Mass
521.07
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
Anisoles Benzylamines Phenoxy compounds Medium-chain fatty acids Methoxybenzenes Alkyl aryl ethers Aminopyrimidines and derivatives Chlorobenzenes Halogenated fatty acids Heterocyclic fatty acids Aryl chlorides Imidolactams Heteroaromatic compounds Thiophenes 1,2-aminoalcohols Carboxylic acids Azacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Carbonyl compounds Primary alcohols Organochlorides Organic oxides Monoalkylamines
Molecular Framework
Not available
Substituents
Thienopyrimidine - Phenoxy compound - Anisole - Benzylamine - Methoxybenzene - Phenol ether - Medium-chain fatty acid - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Halogenated fatty acid - Heterocyclic fatty acid - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Fatty acyl - Fatty acid - Imidolactam - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - 1,2-aminoalcohol - Monocarboxylic acid or derivatives - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Azacycle - Ether - Organochloride - Organic nitrogen compound - Amine - Carbonyl group - Hydrocarbon derivative - Primary aliphatic amine - Alcohol - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organic oxygen compound - Primary alcohol - Primary 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