Compound Identification
SMILES
NC1=C2C(SC3=C2CCCC3)=NC(COC(=O)CCCOC2=CC=CC=C2)=N1
InChIKey
InChIKey=LETOPIXQFVGGAR-UHFFFAOYSA-N
Formula
C21H23N3O3S
Mass
397.49
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
Phenoxy compounds Phenol ethers Alkyl aryl ethers Aminopyrimidines and derivatives Fatty acid esters Imidolactams Thiophenes Heteroaromatic compounds Amino acids and derivatives Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Primary amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aminopyrimidine - Fatty acid ester - Monocyclic benzene moiety - Pyrimidine - Benzenoid - Imidolactam - Fatty acyl - Heteroaromatic compound - Thiophene - Amino acid or derivatives - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organic oxygen compound - Hydrocarbon derivative - Carbonyl group - Organic nitrogen compound - Primary amine - Organic oxide - Amine - Organonitrogen compound - Organooxygen 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