Compound Identification
SMILES
CC(C)CCC1=C(OC2C[C@@H]3CC[C@H](C2)N3C)C=CC(=C1)N1C=NC2=C(SC(=C2)C#CC2CC2)C1=O
InChIKey
InChIKey=QCCMGRZESLBCHJ-HCGNOCCLSA-N
Formula
C30H35N3O2S
Mass
501.69
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
Tropane alkaloids Phenoxy compounds Phenol ethers 2,3,5-trisubstituted thiophenes Pyrimidones Alkyl aryl ethers Piperidines N-alkylpyrrolidines Heteroaromatic compounds Trialkylamines Lactams Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Thienopyrimidine - Tropane alkaloid - Phenoxy compound - 2,3,5-trisubstituted thiophene - Phenol ether - Pyrimidone - Alkyl aryl ether - Piperidine - Benzenoid - N-alkylpyrrolidine - Pyrimidine - Monocyclic benzene moiety - Heteroaromatic compound - Thiophene - Pyrrolidine - Tertiary aliphatic amine - Tertiary amine - Lactam - Ether - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - 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