Compound Identification
SMILES
[Cl-].CCC(=O)N(C)C1=CC=C(C=C1)C1=C(C[NH+](C)CC2=CC=CC=C2)C2=C(S1)N(CC1=C(F)C=CC=C1F)C(=O)N(C1=CC(OC)=CC=C1)C2=O
InChIKey
InChIKey=XYCLBLAPWAEJFR-UHFFFAOYSA-N
Formula
C39H37ClF2N4O4S
Mass
731.26
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 Methoxyanilines Anisoles Benzylamines Methoxybenzenes Phenoxy compounds Phenylmethylamines Aralkylamines Alkyl aryl ethers Pyrimidones Fluorobenzenes Aryl fluorides Thiophenes Tertiary carboxylic acid amides Quaternary ammonium salts Heteroaromatic compounds Vinylogous amides Trialkylamines Amino acids and derivatives Lactams Ureas Azacyclic compounds Organic chloride salts Carbonyl compounds Organic oxides Hydrocarbon derivatives Organofluorides Organic cations
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Methoxyaniline - Anilide - Phenoxy compound - Anisole - Phenylmethylamine - Benzylamine - Methoxybenzene - Phenol ether - Alkyl aryl ether - Pyrimidone - Fluorobenzene - Aralkylamine - Halobenzene - Benzenoid - Monocyclic benzene moiety - Pyrimidine - Aryl halide - Aryl fluoride - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Tertiary carboxylic acid amide - Thiophene - Urea - Tertiary amine - Amino acid or derivatives - Tertiary aliphatic amine - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Ether - Organic oxygen compound - Organic salt - Organic chloride salt - Amine - Organohalogen compound - Organofluoride - Carbonyl group - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen 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