Compound Identification
SMILES
NC1=NC(=S)N([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)C(C2=CC=CC=C2)=C1C#N
InChIKey
InChIKey=IXMGOASDXIDCME-RSQMQNDGSA-N
Formula
C17H18N4O5S
Mass
390.41
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
Hexoses Glycosylamines Aminopyrimidines and derivatives Pyrimidinethiones Benzene and substituted derivatives Hydropyrimidines Imidolactams Oxanes Heteroaromatic compounds Secondary alcohols 1,2-diols Azacyclic compounds Nitriles Oxacyclic compounds Hydrocarbon derivatives Primary alcohols Primary amines Organosulfur compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hexose monosaccharide - 4-phenylpyrimidine - Glycosyl compound - N-glycosyl compound - Aminopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Hydropyrimidine - Monosaccharide - Oxane - Benzenoid - Imidolactam - Heteroaromatic compound - 1,2-diol - Secondary alcohol - Azacycle - Polyol - Oxacycle - Carbonitrile - Nitrile - Primary alcohol - Organonitrogen compound - Amine - Alcohol - Hydrocarbon derivative - Cyanide - Organic oxygen compound - Primary amine - Organooxygen compound - Organosulfur compound - Organic nitrogen compound - 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