Compound Identification
SMILES
CC1SC(NC(=O)CSC2=NC(=O)C(C#N)=C(N2)C2=CC=CC=C2)=NC1=O
InChIKey
InChIKey=SDNCXFCDYPPBMC-UHFFFAOYSA-N
Formula
C17H13N5O3S2
Mass
399.44
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
Alkylarylthioethers Pyrimidones Benzene and substituted derivatives Hydropyrimidines Vinylogous amides Thiazolines Heteroaromatic compounds N-acylimines Isothioureas Sulfenyl compounds Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Nitriles Carboxylic acids and derivatives Carboximidamides Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Meta-thiazoline - Heteroaromatic compound - Vinylogous amide - Isothiourea - N-acylimine - Azacycle - Sulfenyl compound - Carboximidamide - Organic 1,3-dipolar compound - Thioether - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Carbonitrile - Nitrile - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organosulfur compound - Cyanide - Organic oxygen compound - Organic oxide - Carbonyl group - Hydrocarbon derivative - Aromatic heteromonocyclic 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