Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CN2C=NC3=C(C(=C(C)S3)C3=CC=C(OCC)C=C3)C2=O)SC=C1C1=CC=C(Cl)C=C1
InChIKey
InChIKey=VMWAWZJGLRVIPB-UHFFFAOYSA-N
Formula
C30H26ClN3O5S2
Mass
608.12
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
N-arylamides Phenol ethers Phenoxy compounds Thiophene carboxylic acids and derivatives Alkyl aryl ethers Chlorobenzenes Pyrimidones Aryl chlorides Heteroaromatic compounds Vinylogous amides Lactams Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Thiophene carboxylic acid or derivatives - N-arylamide - Alkyl aryl ether - Chlorobenzene - Halobenzene - Pyrimidone - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Secondary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Organohalogen compound - Organochloride - Carbonyl group - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - 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