Compound Identification
SMILES
CCOC(=O)C1=C(NC(=O)CSC2=NC=NC3=C2C(=CS3)C2=CC=C(OC)C=C2)C2=C(CC(C)CC2)S1
InChIKey
InChIKey=BXOSCFQTIMAURJ-UHFFFAOYSA-N
Formula
C27H27N3O4S3
Mass
553.71
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
Thiophene carboxylic acids and derivatives Anisoles Methoxybenzenes Phenoxy compounds N-arylamides Alkyl aryl ethers Alkylarylthioethers Pyrimidines and pyrimidine derivatives Vinylogous amides Heteroaromatic compounds Carboxylic acid esters Secondary carboxylic acid amides Azacyclic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Aryl thioether - Anisole - Thiophene carboxylic acid or derivatives - Methoxybenzene - Phenol ether - N-arylamide - Alkyl aryl ether - Alkylarylthioether - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxylic acid ester - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Ether - Sulfenyl compound - Thioether - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - 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