Compound Identification
SMILES
CC1=NC(NC2=CC=C(C=C2)C([O-])=O)=C2C=C(SC2=N1)C1=CC=CC=C1
InChIKey
InChIKey=PPUYHVBZDQRSNF-UHFFFAOYSA-M
Formula
C20H14N3O2S
Mass
360.41
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
Benzoic acids 2,3,5-trisubstituted thiophenes Aniline and substituted anilines Benzoyl derivatives Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Amino acids Carboxylic acid salts Secondary amines Azacyclic compounds Carboxylic acids Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic anions
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Benzoic acid - Thienopyrimidine - Benzoyl - 2,3,5-trisubstituted thiophene - Aniline or substituted anilines - Aminopyrimidine - Imidolactam - Benzenoid - Pyrimidine - Monocyclic benzene moiety - Thiophene - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Carboxylic acid salt - Azacycle - Secondary amine - Carboxylic acid derivative - Carboxylic acid - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Amine - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Organic anion - 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