Compound Identification
SMILES
CC1=CC(NC(=O)CN2C(CN3CCCC3)=NC3=C(C4=C(CCCC4)S3)C2=O)=CC(C)=C1
InChIKey
InChIKey=RUFNDBOTOPKOTL-UHFFFAOYSA-N
Formula
C25H30N4O2S
Mass
450.6
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
Anilides m-Xylenes N-arylamides Aralkylamines Pyrimidones N-alkylpyrrolidines Thiophenes Heteroaromatic compounds Amino acids and derivatives Trialkylamines Secondary carboxylic acid amides Lactams Azacyclic compounds Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Anilide - M-xylene - Xylene - N-arylamide - Pyrimidone - Aralkylamine - Monocyclic benzene moiety - Pyrimidine - Benzenoid - N-alkylpyrrolidine - Heteroaromatic compound - Pyrrolidine - Thiophene - Carboxamide group - Lactam - Amino acid or derivatives - Secondary carboxylic acid amide - Tertiary amine - Tertiary aliphatic amine - Carboxylic acid derivative - Azacycle - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Amine - Organic nitrogen 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