Compound Identification
SMILES
ClC1=NC2=C(SC(CN3CCN(CC4=CN=CC=C4)CC3)=C2)C(=N1)N1CCOCC1
InChIKey
InChIKey=OCQIWZHZYLRJIY-UHFFFAOYSA-N
Formula
C21H25ClN6OS
Mass
444.98
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
2,3,5-trisubstituted thiophenes Dialkylarylamines 2-halopyrimidines Aminopyrimidines and derivatives Aralkylamines N-alkylpiperazines Pyridines and derivatives Aryl chlorides Morpholines Imidolactams Heteroaromatic compounds Trialkylamines Dialkyl ethers Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Organochlorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2,3,5-trisubstituted thiophene - Dialkylarylamine - Aminopyrimidine - Halopyrimidine - N-alkylpiperazine - Aralkylamine - 2-halopyrimidine - Morpholine - 1,4-diazinane - Aryl halide - Oxazinane - Piperazine - Pyridine - Pyrimidine - Imidolactam - Aryl chloride - Thiophene - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Dialkyl ether - Ether - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Organic oxygen 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