Compound Identification
SMILES
COC1=CC=CC(=C1)C1=C2C(N)=C(SC2=NC(SC)=N1)C(=O)NC(C)(C)C
InChIKey
InChIKey=DVSFSADBOJYPGF-UHFFFAOYSA-N
Formula
C19H22N4O2S2
Mass
402.53
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 Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Aminothiophenes Vinylogous amides Heteroaromatic compounds Secondary carboxylic acid amides Amino acids and derivatives Sulfenyl compounds Azacyclic compounds Organic oxides Organopnictogen compounds Primary amines Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-phenylpyrimidine - 5-phenylpyrimidine - Pyrimidinecarboxamide - Thienopyrimidine - Anisole - Phenol ether - 2-heteroaryl carboxamide - Phenoxy compound - Aryl thioether - Thiophene carboxamide - Thiophene carboxylic acid or derivatives - Methoxybenzene - Alkylarylthioether - Alkyl aryl ether - Benzenoid - Monocyclic benzene moiety - Aminothiophene - Heteroaromatic compound - Thiophene - Vinylogous amide - Carboxamide group - Amino acid or derivatives - Secondary carboxylic acid amide - Ether - Carboxylic acid derivative - Azacycle - Sulfenyl compound - Thioether - Organic nitrogen compound - Organopnictogen compound - Amine - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Primary amine - Organic oxide - 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