Compound Identification
SMILES
CC1=C(C)C2=C(N)N=C(SCC(=O)N3CCN(CC4=CC=CC=C4)CC3)N=C2S1
InChIKey
InChIKey=RMDDJYWRQZQQBZ-UHFFFAOYSA-N
Formula
C21H25N5OS2
Mass
427.59
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
Phenylmethylamines Benzylamines Alkylarylthioethers Aminopyrimidines and derivatives N-alkylpiperazines Aralkylamines Imidolactams Thiophenes Tertiary carboxylic acid amides Heteroaromatic compounds Trialkylamines Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Hydrocarbon derivatives Organic oxides Primary amines Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aryl thioether - Benzylamine - Phenylmethylamine - Aminopyrimidine - N-alkylpiperazine - Alkylarylthioether - Aralkylamine - Monocyclic benzene moiety - 1,4-diazinane - Piperazine - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Tertiary carboxylic acid amide - Heteroaromatic compound - Tertiary amine - Tertiary aliphatic amine - Carboxamide group - Amino acid or derivatives - Thioether - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxide - Carbonyl group - Organic nitrogen compound - Primary amine - Amine - Hydrocarbon derivative - 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