Structure Information
Structure

Compound Identification

SMILES

Cl.Cl.CC1=C(CSCCNC2=NC=C(CC3=CC(O)=CC=C3)C(=O)N2)N=CN1

InChIKey

InChIKey=HXVKXZPBZWSWOQ-UHFFFAOYSA-N

Formula

C18H23Cl2N5O2S

Mass

444.38

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidones

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Aminopyrimidine - 1-hydroxy-4-unsubstituted benzenoid - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Azole - Imidazole - Heteroaromatic compound - Lactam - Sulfenyl compound - Thioether - Azacycle - Dialkylthioether - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Organic oxide - Organic oxygen compound - Amine - Hydrochloride - Aromatic heteromonocyclic 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

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