Compound Identification
SMILES
CC1(C)CC2=C(CO1)SC1=C2C(=O)N(C(SCC2=CC=CC=C2)=N1)C1=CC=C(Br)C=C1
InChIKey
InChIKey=VIHISZUDCNEHNH-UHFFFAOYSA-N
Formula
C24H21BrN2O2S2
Mass
513.47
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 Alkylarylthioethers Pyrimidones Bromobenzenes Pyrans Aryl bromides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Oxacyclic compounds Azacyclic compounds Dialkyl ethers Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives Organobromides Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Aryl thioether - Bromobenzene - Halobenzene - Alkylarylthioether - Pyrimidone - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyran - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Lactam - Sulfenyl compound - Azacycle - Oxacycle - Thioether - Dialkyl ether - Ether - Organosulfur compound - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organic oxide - Organopnictogen compound - Organic oxygen compound - 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