Compound Identification
SMILES
O=C(CSC1=NC2=C(C3=C(CN(CCC4=CC=CC=C4)CC3)S2)C(=O)N1C1=CC=CC=C1)NC1=CC=CC=C1
InChIKey
InChIKey=OUBVCNXFBCHKHF-UHFFFAOYSA-N
Formula
C31H28N4O2S2
Mass
552.71
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
Anilides Phenethylamines N-arylamides Alkylarylthioethers Aralkylamines Pyrimidones Thiophenes Heteroaromatic compounds Trialkylamines Amino acids and derivatives Secondary carboxylic acid amides Lactams Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phenethylamine - Thienopyrimidine - Anilide - Aryl thioether - N-arylamide - Pyrimidone - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Heteroaromatic compound - Thiophene - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Sulfenyl compound - Carboxylic acid derivative - Thioether - Azacycle - Amine - Hydrocarbon derivative - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic oxygen 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