Compound Identification
SMILES
CC(C)CC1=NC(SC(=O)C2=CC=CC=C2)=C2CCCN2C1=O
InChIKey
InChIKey=VBPFHFXSVOLXPH-UHFFFAOYSA-N
Formula
C18H20N2O2S
Mass
328.43
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrrolopyrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolopyrazines
Alternative Parents
Thiobenzoic acids and derivatives Benzoic acids and derivatives Aryl thioethers Benzoyl derivatives Pyrazines Pyrroles Heteroaromatic compounds Thioesters Carbothioic S-esters Lactams Carboxylic acids and derivatives Azacyclic compounds Sulfenyl compounds Organonitrogen compounds Organooxygen compounds Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoic acid or derivatives - Thiobenzoic acid or derivatives - Pyrrolopyrazine - Aryl thioether - Benzoyl - Monocyclic benzene moiety - Pyrazine - Benzenoid - Heteroaromatic compound - Pyrrole - Lactam - Carbothioic s-ester - Thiocarboxylic acid ester - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thiocarboxylic acid or derivatives - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organosulfur compound - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolopyrazines. These are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4.
External Descriptors
Not available