Compound Identification
SMILES
COC1=CC=C(NC(=O)CSC2=NC(N)=C3C4=C(COC(C4)C(C)C)SC3=N2)C=C1
InChIKey
InChIKey=QUJXMNFVNMADRT-UHFFFAOYSA-N
Formula
C21H24N4O3S2
Mass
444.57
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 Thienopyrans Methoxyanilines Anisoles Methoxybenzenes N-arylamides Phenoxy compounds Aminopyrimidines and derivatives Alkyl aryl ethers Alkylarylthioethers Pyrans Primary aromatic amines Imidolactams Thiophenes Heteroaromatic compounds Amino acids and derivatives Secondary carboxylic acid amides Oxacyclic compounds Dialkyl ethers Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Anilide - Methoxyaniline - Phenoxy compound - Aryl thioether - Anisole - Phenol ether - N-arylamide - Methoxybenzene - Alkyl aryl ether - Aminopyrimidine - Alkylarylthioether - Monocyclic benzene moiety - Primary aromatic amine - Pyran - Pyrimidine - Benzenoid - Imidolactam - Thiophene - Heteroaromatic compound - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Thioether - Oxacycle - Azacycle - Sulfenyl compound - Carboxylic acid derivative - Dialkyl ether - Ether - Amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Primary amine - Carbonyl group - Organic nitrogen compound - Organopnictogen compound - Organic oxide - Organic oxygen compound - 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