Compound Identification
SMILES
CCOC(=O)C1=C(C)NC(=S)NC1C1=CC(OC)=C(OCC(=O)N2CCCCC2)C=C1
InChIKey
InChIKey=XRFAJMYBRNWETA-UHFFFAOYSA-N
Formula
C22H29N3O5S
Mass
447.55
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
N-acylpiperidines Phenoxy compounds Anisoles Methoxybenzenes Pyrimidinethiones 2-Thiopyrimidines Alkyl aryl ethers Vinylogous amides Tertiary carboxylic acid amides Enoate esters Thioureas Monocarboxylic acids and derivatives Azacyclic compounds Organic oxides Organonitrogen compounds Carbonyl compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - N-acyl-piperidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 2-thiopyrimidine - Thiopyrimidine - Pyrimidinethione - Monocyclic benzene moiety - Piperidine - Benzenoid - Tertiary carboxylic acid amide - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Thiourea - Carboxamide group - Carboxylic acid ester - Azacycle - Carboxylic acid derivative - Ether - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organic oxide - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen 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