Compound Identification
SMILES
CCN1C(=S)NC(C2=CC=C(NC(=O)COC3=CC=CC=C3)C=C2)C(C(=O)OCC(C)C)=C1C
InChIKey
InChIKey=WUMQCHVRKCOHGY-UHFFFAOYSA-N
Formula
C26H31N3O4S
Mass
481.61
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
Anilides N-arylamides Phenol ethers Phenoxy compounds 2-Thiopyrimidines Alkyl aryl ethers Pyrimidinethiones Enoate esters Vinylogous amides Thioureas Secondary carboxylic acid amides Monocarboxylic acids and derivatives Azacyclic compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Anilide - Phenoxy compound - Phenol ether - N-arylamide - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Benzenoid - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Carboxamide group - Carboxylic acid ester - Secondary carboxylic acid amide - Thiourea - Monocarboxylic acid or derivatives - Ether - Carboxylic acid derivative - Azacycle - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Carbonyl group - 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