Compound Identification
SMILES
CNc1nc(-c2cccc(c2)-c2ccccc2)c2c(N)c(sc2n1)C(=O)OC(N)=O
InChIKey
InChIKey=XFCHRHHNWVUOPN-UHFFFAOYSA-N
Formula
C21H17N5O3S
Mass
419.46
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
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
Biphenyls and derivatives Thienopyrimidines Thiophene carboxylic acids and derivatives Aminopyrimidines and derivatives Aminothiophenes Vinylogous amides Heteroaromatic compounds Amino acids and derivatives Azacyclic compounds Primary amines Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Biphenyl - 4-phenylpyrimidine - Thienopyrimidine - Thiophene carboxylic acid or derivatives - Aminopyrimidine - Aminothiophene - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Vinylogous amide - Thiophene - Amino acid or derivatives - Azacycle - Carboxylic acid derivative - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organooxygen compound - Primary amine - 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