Compound Identification
SMILES
COC(=O)C1=C(C)N(C)C(=S)N[C@H]1C1=CC(=C(Cl)C=C1)[N+]([O-])=O
InChIKey
InChIKey=NXKITOKRMJDOAT-LBPRGKRZSA-N
Formula
C14H14ClN3O4S
Mass
355.79
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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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
Nitrobenzenes Nitroaromatic compounds 2-Thiopyrimidines Pyrimidinethiones Chlorobenzenes Aryl chlorides Vinylogous amides Enoate esters Methyl esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Organochlorides Organonitrogen compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides Organic salts Organic cations
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Nitrobenzene - Nitroaromatic compound - 2-thiopyrimidine - Thiopyrimidine - Chlorobenzene - Halobenzene - Pyrimidinethione - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Methyl ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Organic nitro compound - C-nitro compound - Thiourea - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Azacycle - Monocarboxylic acid or derivatives - Organic oxoazanium - Organic 1,3-dipolar compound - Organic salt - Organic oxygen compound - Carbonyl group - Organic nitrogen compound - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organochloride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - 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