Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(=O)NC1C1=CC=C(S1)[N+]([O-])=O
InChIKey
InChIKey=JPBWYJNCYGGSKF-UHFFFAOYSA-N
Formula
C12H13N3O5S
Mass
311.31
Taxonomic Classification
Taxonomy Tree
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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
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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
Hydropyrimidines
Direct Parent
Hydropyrimidine carboxylic acids and derivatives
Alternative Parents
2-nitrothiophenes Nitroaromatic compounds Pyrimidones 2,5-disubstituted thiophenes Vinylogous amides Enoate esters Heteroaromatic compounds Ureas Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Monocarboxylic acids and derivatives Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - 2-nitrothiophene - Nitrothiophene - Nitroaromatic compound - Pyrimidone - 2,5-disubstituted thiophene - Thiophene - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Vinylogous amide - Heteroaromatic compound - Organic nitro compound - Carboxylic acid ester - Urea - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxoazanium - Hydrocarbon derivative - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Organic oxide - Carbonyl group - Organic salt - Organic cation - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as hydropyrimidine carboxylic acids and derivatives. These are compounds containing a hydrogenated pyrimidine ring which bears a carboxylic acid group.
External Descriptors
Not available