Compound Identification
SMILES
CCOC(=O)C1=C(CSC2=NN=C(SCC(N)=O)S2)NC(=O)N[C@@H]1C1=CC=CC=C1
InChIKey
InChIKey=NXPCJMYZFGRMLU-CQSZACIVSA-N
Formula
C18H19N5O4S3
Mass
465.56
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
Alkylarylthioethers Pyrimidones Benzene and substituted derivatives Vinylogous amides Thiadiazoles Enoate esters Heteroaromatic compounds Ureas Primary carboxylic acid amides Sulfenyl compounds Azacyclic compounds Monocarboxylic acids and derivatives Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Aryl thioether - Pyrimidone - Alkylarylthioether - Monocyclic benzene moiety - Benzenoid - Azole - Thiadiazole - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Heteroaromatic compound - Vinylogous amide - Urea - Primary carboxylic acid amide - Carboxamide group - Carboxylic acid ester - Sulfenyl compound - Thioether - Azacycle - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Organic oxide - Organonitrogen compound - Organic oxygen compound - Organooxygen compound - Organic nitrogen compound - Carbonyl group - Hydrocarbon derivative - Organosulfur compound - 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