Compound Identification
SMILES
C[C@H](CO)N1C=C(NC2=NC3=C(SC=C3)C(=N2)C2=CN(N=C2)C2(CC#N)CN(C2)S(C)(=O)=O)C=N1
InChIKey
InChIKey=CPGNWQCZIGFUMK-CQSZACIVSA-N
Formula
C21H23N9O3S2
Mass
513.6
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
Aminopyrimidines and derivatives Organosulfonamides Organic sulfonamides Thiophenes Sulfonyls Pyrazoles Heteroaromatic compounds Azetidines Nitriles Azacyclic compounds Primary alcohols Organic oxides Hydrocarbon derivatives Amines
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Aminopyrimidine - Pyrimidine - Organosulfonic acid amide - Organic sulfonic acid amide - Azole - Pyrazole - Heteroaromatic compound - Organic sulfonic acid or derivatives - Thiophene - Sulfonyl - Organosulfonic acid or derivatives - Azetidine - Carbonitrile - Nitrile - Azacycle - Primary alcohol - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Alcohol - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen 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