Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(SCC([O-])=O)=N[C@@H]1C1=CC=CC=C1
InChIKey
InChIKey=PIXSYPRIZYBGET-CQSZACIVSA-M
Formula
C16H17N2O4S
Mass
333.38
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Hydropyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Hydropyrimidines
Alternative Parents
Dicarboxylic acids and derivatives Benzene and substituted derivatives Vinylogous amides Enoate esters Isothioureas Carboxylic acid salts Sulfenyl compounds Carboxylic acids Carboximidamides Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic anions
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Dicarboxylic acid or derivatives - Hydropyrimidine - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxylic acid ester - Carboxylic acid salt - Isothiourea - Carboxylic acid derivative - Carboxylic acid - Azacycle - Carboximidamide - Sulfenyl compound - Carbonyl group - Hydrocarbon derivative - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organic anion - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidines. These are compounds containing a hydrogenated pyrimidine ring (i.e. containing less than the maximum number of double bonds.).
External Descriptors
Not available