Compound Identification
SMILES
CCOC1=C(\C=N\NC(=O)CN2C=NC3=C(C(=C(C)S3)C3=CC=CC=C3)C2=O)C=C(Br)C=C1
InChIKey
InChIKey=XQMBVXQCUBEVFF-KKMKTNMSSA-N
Formula
C24H21BrN4O3S
Mass
525.42
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
Phenoxy compounds Phenol ethers Pyrimidones Alkyl aryl ethers Bromobenzenes Aryl bromides Thiophenes Heteroaromatic compounds Lactams Carboxylic acids and derivatives Azacyclic compounds Organonitrogen compounds Carbonyl compounds Organic oxides Organobromides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Bromobenzene - Pyrimidone - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Pyrimidine - Heteroaromatic compound - Thiophene - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organooxygen compound - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organohalogen compound - Organobromide - 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