Compound Identification
SMILES
COC1=CC=CC=C1C1=C(SC2=CN=C(NC3=C(OC(C)C)C=C(C=C3)N(C)CCN3CCCC3)N=C12)C(N)=O
InChIKey
InChIKey=RLJPPYPARTXRJS-UHFFFAOYSA-N
Formula
C30H36N6O3S
Mass
560.72
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
Pyrimidinecarboxamides Aminophenyl ethers 2-heteroaryl carboxamides Thiophene carboxamides Phenoxy compounds Methoxybenzenes Aniline and substituted anilines Dialkylarylamines Anisoles Alkyl aryl ethers Aminopyrimidines and derivatives N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Amino acids and derivatives Primary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidinecarboxamide - Thienopyrimidine - Aminophenyl ether - Anisole - Phenol ether - 2-heteroaryl carboxamide - Tertiary aliphatic/aromatic amine - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Dialkylarylamine - Aniline or substituted anilines - Methoxybenzene - Phenoxy compound - Alkyl aryl ether - Aminopyrimidine - N-alkylpyrrolidine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Thiophene - Heteroaromatic compound - Pyrrolidine - Tertiary aliphatic amine - Carboxamide group - Tertiary amine - Amino acid or derivatives - Primary carboxylic acid amide - Ether - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Hydrocarbon derivative - Amine - Organooxygen compound - Organonitrogen 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