Compound Identification
SMILES
CC1=CC=C(O1)C1=NC(N)=C2C=C(SC2=N1)C(O)CO
InChIKey
InChIKey=CTZDRKWCQLRVMO-UHFFFAOYSA-N
Formula
C13H13N3O3S
Mass
291.33
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
2,3,5-trisubstituted thiophenes Aminopyrimidines and derivatives Imidolactams Heteroaromatic compounds Furans Secondary alcohols 1,2-diols Oxacyclic compounds Azacyclic compounds Primary amines Primary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Pyrimidine - Imidolactam - Furan - Thiophene - Heteroaromatic compound - Secondary alcohol - 1,2-diol - Oxacycle - Azacycle - Aromatic alcohol - Alcohol - Hydrocarbon derivative - Organic oxygen compound - Primary amine - Primary alcohol - Organooxygen compound - Organonitrogen compound - Organic nitrogen 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