Compound Identification
SMILES
COC1=C(C=C(C=C1)C1=CC=NC2=C(C=NN12)C(=O)C1=CC=CS1)N(C)C(C)=O
InChIKey
InChIKey=ZLGUMVSIODWPDS-UHFFFAOYSA-N
Formula
C21H18N4O3S
Mass
406.46
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
Acetanilides Methoxyanilines Pyrazolo[1,5-a]pyrimidines Anisoles Aryl ketones Thiophene carboxylic acids and derivatives Methoxybenzenes Phenoxy compounds Alkyl aryl ethers Acetamides Heteroaromatic compounds Vinylogous amides Pyrazoles Tertiary carboxylic acid amides Azacyclic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - Acetanilide - Pyrazolo[1,5-a]pyrimidine - Methoxyaniline - Anilide - Pyrazolopyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Thiophene carboxylic acid or derivatives - Aryl ketone - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Azole - Heteroaromatic compound - Pyrazole - Acetamide - Tertiary carboxylic acid amide - Vinylogous amide - Thiophene - Ketone - Carboxamide group - Ether - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - 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