Compound Identification
SMILES
CN(C)C1CCN(C1)C(=O)CN1C=C2C(CCC3=C2SC2=NC=NC(NC4=CC(Cl)=C(OCC5=CC(F)=CC=C5)C=C4)=C32)=N1
InChIKey
InChIKey=CTZBZVDSRYOIAK-UHFFFAOYSA-N
Formula
C32H31ClFN7O2S
Mass
632.16
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
Aniline and substituted anilines N-acylpyrrolidines Phenol ethers Phenoxy compounds Chlorobenzenes Fluorobenzenes Aminopyrimidines and derivatives Alkyl aryl ethers Aryl chlorides Imidolactams Aryl fluorides Thiophenes Heteroaromatic compounds Tertiary carboxylic acid amides Pyrazoles Trialkylamines Amino acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organochlorides Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - N-acylpyrrolidine - Aniline or substituted anilines - Phenol ether - Alkyl aryl ether - Chlorobenzene - Aminopyrimidine - Fluorobenzene - Halobenzene - Aryl chloride - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Imidolactam - Pyrimidine - Benzenoid - Pyrazole - Heteroaromatic compound - Azole - Pyrrolidine - Tertiary carboxylic acid amide - Thiophene - Amino acid or derivatives - Tertiary amine - Carboxamide group - Tertiary aliphatic amine - Carboxylic acid derivative - Ether - Azacycle - Organic nitrogen compound - Organohalogen compound - Carbonyl group - Organochloride - Organofluoride - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Amine - 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