Compound Identification
SMILES
CCOC(=O)C1=NC(C(=O)OCC)=C2C(=N1)N(C)N=C2C1=CC=CS1
InChIKey
InChIKey=LNSZIRFPDKLEFG-UHFFFAOYSA-N
Formula
C16H16N4O4S
Mass
360.39
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
-
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
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Pyrazolo[3,4-d]pyrimidines Thiophenes Pyrazoles Heteroaromatic compounds Carboxylic acid esters Azacyclic compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrazolo[3,4-d]pyrimidine - Pyrimidine-2-carboxylic acid - Pyrimidine-6-carboxylic acid - Pyrazolopyrimidine - Azole - Pyrazole - Heteroaromatic compound - Thiophene - Carboxylic acid ester - Carboxylic acid derivative - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors
Not available