Compound Identification
SMILES
CCC1=CC=C(C=NNC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=CDKAVNIADVPNIM-UHFFFAOYSA-N
Formula
C27H25BrN4O2S2
Mass
581.55
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
Pyrimidones Bromobenzenes Alkylarylthioethers Aryl bromides Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Aryl halide - Pyrimidine - Aryl bromide - Thiophene - Heteroaromatic compound - Lactam - Azacycle - Sulfenyl compound - Thioether - Carboxylic acid derivative - Organic oxygen compound - Organobromide - Organohalogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - 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