Compound Identification
SMILES
COC1=CC=C(CSC2=NC(C3=C(SC)N=CC=C3)C(C(O)=O)=C(C)N2)C=C1
InChIKey
InChIKey=DRRVACMMVOULFR-UHFFFAOYSA-N
Formula
C20H21N3O3S2
Mass
415.53
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
Phenoxy compounds Anisoles Methoxybenzenes Alkyl aryl ethers Alkylarylthioethers Pyridines and derivatives Vinylogous amides Heteroaromatic compounds Isothioureas Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Sulfenyl compounds Hydrocarbon derivatives Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Anisole - Phenol ether - Methoxybenzene - Aryl thioether - Phenoxy compound - Alkylarylthioether - Alkyl aryl ether - Monocyclic benzene moiety - Pyridine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Isothiourea - Azacycle - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Thioether - Carboximidamide - Sulfenyl compound - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Carbonyl group - Organic oxygen compound - Organic oxide - Organic nitrogen 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