Compound Identification
SMILES
CS(O)(=O)=O.CN1CCN(CC1)C(=O)O[C@@H]1N(C(=O)C2=NC=CN=C12)C1=NC=C(Cl)C=C1
InChIKey
InChIKey=XYNFYKUQYVCPKG-NTISSMGPSA-N
Formula
C18H21ClN6O6S
Mass
484.91
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Pyrrolopyrazines
- Subclass Cyclopyrrolones
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Class
Pyrrolopyrazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrazines
Subclass
Cyclopyrrolones
Intermediate Tree Nodes
Not available
Direct Parent
Cyclopyrrolones
Alternative Parents
Piperazine carboxylic acids 2-heteroaryl carboxamides N-methylpiperazines Aryl chlorides Imidolactams Pyridines and derivatives Pyrazines Alkanesulfonic acids Tertiary carboxylic acid amides Carbamate esters Heteroaromatic compounds Sulfonyls Methanesulfonates Organosulfonic acids Trialkylamines Lactams Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organochlorides
Molecular Framework
Not available
Substituents
Cyclopyrrolone - Piperazine-1-carboxylic acid - 2-heteroaryl carboxamide - N-methylpiperazine - N-alkylpiperazine - Aryl chloride - Aryl halide - 1,4-diazinane - Piperazine - Pyrazine - Pyridine - Imidolactam - Tertiary carboxylic acid amide - Sulfonyl - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Heteroaromatic compound - Alkanesulfonic acid - Carbamic acid ester - Methanesulfonate - Tertiary aliphatic amine - Tertiary amine - Amino acid or derivatives - Carboxamide group - Lactam - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Organosulfur compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Amine - Organohalogen compound - Organochloride - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as cyclopyrrolones. These are compounds belonging to a family of pyridin-2-ylpyrrole based chemicals. The pyrrole is usually fused to a benzene, pyrimidine, or dithiin.
External Descriptors
Not available