Compound Identification
SMILES
CC1=NN(C(C)=C1)C1=NC2=C(C3=C(COC(C)(C)C3)S2)C(SCC(N)=O)=N1
InChIKey
InChIKey=LXULHGVDBYZOLE-UHFFFAOYSA-N
Formula
C18H21N5O2S2
Mass
403.52
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
Thienopyrans Alkylarylthioethers Pyrans Pyrimidines and pyrimidine derivatives Thiophenes Heteroaromatic compounds Pyrazoles Primary carboxylic acid amides Oxacyclic compounds Azacyclic compounds Dialkyl ethers Sulfenyl compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyran - Thienopyrimidine - Aryl thioether - Alkylarylthioether - Pyran - Pyrimidine - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Carboxamide group - Primary carboxylic acid amide - Carboxylic acid derivative - Dialkyl ether - Ether - Oxacycle - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Carbonyl group - 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