Compound Identification
SMILES
CC1=CC2=C(NCC3=CC4=C(OCO4)C=C3)N=C(N=C2S1)C1=CC=NO1
InChIKey
InChIKey=OWZCGRWKMXQHND-UHFFFAOYSA-N
Formula
C18H14N4O3S
Mass
366.4
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
Benzodioxoles 2,3,5-trisubstituted thiophenes Secondary alkylarylamines Aminopyrimidines and derivatives Imidolactams Benzenoids Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Acetals Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzodioxole - Thienopyrimidine - 2,3,5-trisubstituted thiophene - Aminopyrimidine - Secondary aliphatic/aromatic amine - Pyrimidine - Benzenoid - Imidolactam - Azole - Isoxazole - Heteroaromatic compound - Thiophene - Acetal - Oxacycle - Azacycle - Hydrocarbon derivative - Organopnictogen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxygen 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