Compound Identification
SMILES
CCN(CC)C1=CC(=O)C(=CNNC(=O)CSC2=NC3=C(C4=C(CCCC4)S3)C(=O)N2C2=CC=C(Br)C=C2)C=C1
InChIKey
InChIKey=HROLTAYGCOOPCU-UHFFFAOYSA-N
Formula
C29H30BrN5O3S2
Mass
640.62
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
O-quinomethanes Alkylarylthioethers Bromobenzenes Pyrimidones Aryl bromides Vinylogous amides Heteroaromatic compounds Thiophenes Lactams Carboxylic acid hydrazides Amino acids and derivatives Trialkylamines Enamines Azacyclic compounds Sulfenyl compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - O-quinomethane - Quinomethane - Bromobenzene - Halobenzene - Pyrimidone - Alkylarylthioether - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Thiophene - Heteroaromatic compound - Vinylogous amide - Tertiary amine - Amino acid or derivatives - Cyclic ketone - Tertiary aliphatic amine - Carboxylic acid hydrazide - Lactam - Ketone - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Enamine - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organohalogen compound - Organobromide - Carbonyl group - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Amine - 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