Compound Identification
SMILES
COC1=CC=C(C=C1)N1C(=O)C2=C(SC3=C2CCCC3)N=C1SCC(=O)NN=CC1=CC=CC=C1C(O)=O
InChIKey
InChIKey=FIWQVEHGNDSYPL-UHFFFAOYSA-N
Formula
C27H24N4O5S2
Mass
548.63
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
Methoxyanilines Benzoic acids Phenoxy compounds Methoxybenzenes Anisoles Benzoyl derivatives Pyrimidones Alkyl aryl ethers Alkylarylthioethers Thiophenes Heteroaromatic compounds Lactams Sulfenyl compounds Carboxylic acids Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Thienopyrimidine - Methoxyaniline - Anisole - Phenoxy compound - Aryl thioether - Benzoyl - Phenol ether - Methoxybenzene - Alkyl aryl ether - Pyrimidone - Alkylarylthioether - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Thiophene - Heteroaromatic compound - Lactam - Thioether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Carbonyl group - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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