Compound Identification
SMILES
COCC1=CC(C)=NC2=C1C1=C(S2)C(=O)N[C@@H](N1)C1=CC(OC)=C2OCOC2=C1OC
InChIKey
InChIKey=WCNVUMHPOZRVHC-LJQANCHMSA-N
Formula
C21H21N3O6S
Mass
443.47
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
Thienopyridines Benzodioxoles 2-heteroaryl carboxamides Anisoles Alkyl aryl ethers Methylpyridines Secondary alkylarylamines Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Thiophenes Vinylogous amides Lactams Secondary carboxylic acid amides Acetals Dialkyl ethers Azacyclic compounds Oxacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyridine - Thienopyrimidine - 2-heteroaryl carboxamide - Anisole - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Methylpyridine - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Secondary carboxylic acid amide - Lactam - Acetal - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organopnictogen compound - 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