Compound Identification
SMILES
CS(=O)(=O)CCNCCC1CCC2=C(C1)SC1=NC=NC(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)=C21
InChIKey
InChIKey=YTZKLJBCHNZELA-UHFFFAOYSA-N
Formula
C27H30ClN5O3S2
Mass
572.14
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
Aniline and substituted anilines Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Chlorobenzenes Pyridines and derivatives Aryl chlorides Imidolactams Sulfones Heteroaromatic compounds Thiophenes Dialkylamines Azacyclic compounds Organic oxides Organochlorides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Chlorobenzene - Halobenzene - Aralkylamine - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Sulfonyl - Heteroaromatic compound - Sulfone - Azacycle - Secondary amine - Secondary aliphatic amine - Ether - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Amine - Organosulfur compound - 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