Compound Identification
SMILES
COC1=CC=C(C=C1)[C@H](CNC(=O)CSC1=NC=NC2=C1SC=C2)[NH+]1CCCCC1
InChIKey
InChIKey=VCYQUAVUZAPKJQ-IBGZPJMESA-O
Formula
C22H27N4O2S2
Mass
443.6
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Aralkylamines Pyrimidines and pyrimidine derivatives Piperidines Thiophenes Quaternary ammonium salts Heteroaromatic compounds Trialkylamines Secondary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Carbonyl compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anisole - Phenoxy compound - Aryl thioether - Phenol ether - Methoxybenzene - Alkyl aryl ether - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Piperidine - Benzenoid - Pyrimidine - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Secondary carboxylic acid amide - Tertiary aliphatic amine - Carboxamide group - Thioether - Sulfenyl compound - Azacycle - Carboxylic acid derivative - Ether - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Organic oxygen compound - Amine - Carbonyl group - Organic nitrogen compound - Organic cation - 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