Compound Identification
SMILES
CCN1C2=C([C@@H]3CCCCC[C@@]3(O2)C2=CC=CC=C2)C(=O)N(CC)C1=S
InChIKey
InChIKey=KPLMOBHIRVWHQX-HRAATJIYSA-N
Formula
C21H26N2O2S
Mass
370.51
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Pyrimidinethiones Alkyl aryl ethers Benzene and substituted derivatives Vinylogous esters Vinylogous amides Heteroaromatic compounds Thioureas Lactams Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Alkyl aryl ether - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous ester - Vinylogous amide - Lactam - Thiourea - Ether - Oxacycle - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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