Compound Identification
SMILES
CCSC1C(OC(C)=O)C(OC1N1C=C(C)C(=O)NC1=O)C(CI)OC(C)=O
InChIKey
InChIKey=CXIBRBWLINPEGV-UHFFFAOYSA-N
Formula
C17H23IN2O7S
Mass
526.34
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 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
Dicarboxylic acids and derivatives Hydropyrimidines Vinylogous amides Tetrahydrofurans Heteroaromatic compounds Ureas Carboxylic acid esters Lactams Azacyclic compounds Sulfenyl compounds Dialkylthioethers Oxacyclic compounds Organopnictogen compounds Alkyl iodides Carbonyl compounds Hydrocarbon derivatives Organonitrogen compounds Organoiodides Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Pyrimidone - Dicarboxylic acid or derivatives - Hydropyrimidine - Heteroaromatic compound - Vinylogous amide - Tetrahydrofuran - Carboxylic acid ester - Urea - Lactam - Carboxylic acid derivative - Oxacycle - Azacycle - Dialkylthioether - Sulfenyl compound - Thioether - Organic oxygen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organohalogen compound - Organic nitrogen compound - Alkyl iodide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - 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