Compound Identification
SMILES
CCOC(=O)C1=C(C)C2=C(N=C(CN3CCCCC3)N=C2S1)N(C)CC1=NOC(C)=C1
InChIKey
InChIKey=PEEBEFYPFDEBBV-UHFFFAOYSA-N
Formula
C22H29N5O3S
Mass
443.57
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
Thiophene carboxylic acids and derivatives Dialkylarylamines Aminopyrimidines and derivatives Aralkylamines Piperidines Imidolactams Heteroaromatic compounds Isoxazoles Amino acids and derivatives Trialkylamines Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aminopyrimidine - Aralkylamine - Piperidine - Imidolactam - Pyrimidine - Heteroaromatic compound - Azole - Isoxazole - Thiophene - Carboxylic acid ester - Amino acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Carboxylic acid derivative - Oxacycle - Organic oxide - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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