Compound Identification
SMILES
CCCCNC(=O)c1sc2nc(SC)nc(-c3ccccc3)c2c1N
InChIKey
InChIKey=AKKSOTDRZKNJJS-UHFFFAOYSA-N
Formula
C18H20N4OS2
Mass
372.51
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Thienopyrimidines Pyrimidinecarboxamides Thiophene carboxamides 2-heteroaryl carboxamides Alkylarylthioethers Aminothiophenes Benzene and substituted derivatives Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Organooxygen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Thienopyrimidine - Pyrimidinecarboxamide - 2-heteroaryl carboxamide - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Alkylarylthioether - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Thiophene - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic nitrogen compound - Primary amine - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. 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