Compound Identification
SMILES
CC1=CN([C@H]2C[C@H](N=[N+]=[N-])C(O2)[C@@H](O)C2=CC=CC=C2)C(=O)NC1=O
InChIKey
InChIKey=BFDSITLGIDPQSL-WJLOJVBCSA-N
Formula
C16H17N5O4
Mass
343.343
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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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
Pyrimidones
Alternative Parents
Benzene and substituted derivatives Hydropyrimidines Vinylogous amides Heteroaromatic compounds Oxolanes Azo compounds Azo imides Ureas Secondary alcohols Lactams Azacyclic compounds Oxacyclic compounds Hydrocarbon derivatives Aromatic alcohols Organic oxides Organic salts Organic zwitterions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - Benzenoid - Oxolane - Heteroaromatic compound - Vinylogous amide - Azo compound - Azo imide - Lactam - Secondary alcohol - Urea - Oxacycle - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organooxygen compound - Organonitrogen compound - Alcohol - Organic oxygen compound - Aromatic alcohol - Organic zwitterion - Organic salt - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. 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