Compound Identification
SMILES
CCC1(C)CC2=C(CO1)SC1=NC(SCC3=CC4=C(OCO4)C=C3)=NC(N)=C21
InChIKey
InChIKey=KUMARUNLCYIFMT-UHFFFAOYSA-N
Formula
C20H21N3O3S2
Mass
415.53
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
Thienopyrans Benzodioxoles Alkylarylthioethers Aminopyrimidines and derivatives Benzenoids Pyrans Imidolactams Primary aromatic amines Heteroaromatic compounds Thiophenes Dialkyl ethers Acetals Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Hydrocarbon derivatives Organopnictogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyran - Thienopyrimidine - Aryl thioether - Aminopyrimidine - Alkylarylthioether - Primary aromatic amine - Pyran - Pyrimidine - Imidolactam - Benzenoid - Heteroaromatic compound - Thiophene - Acetal - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Primary amine - Organopnictogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic nitrogen 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