Compound Identification
SMILES
O=C1NC(SCC2=CC=CC=C2)=NC2=C1C1=C(C[NH+](CC3=CC=CC=C3)CC1)S2
InChIKey
InChIKey=HVSOFKPFFGMYOR-UHFFFAOYSA-O
Formula
C23H22N3OS2
Mass
420.57
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
Benzylamines Phenylmethylamines Alkylarylthioethers Aralkylamines Pyrimidones Thiophenes Heteroaromatic compounds Quaternary ammonium salts Lactams Trialkylamines Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Organooxygen compounds Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Benzylamine - Phenylmethylamine - Aralkylamine - Alkylarylthioether - Pyrimidone - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Quaternary ammonium salt - Thiophene - Lactam - Tertiary aliphatic amine - Tertiary amine - Azacycle - Sulfenyl compound - Thioether - Amine - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - 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