Compound Identification
SMILES
COC(=O)C1=C(C)NC(=O)N(C1C1=CC(F)=C(F)C=C1)C(=O)NCCNC1CCC(CC1)(C#N)C1=CC=CC=C1F
InChIKey
InChIKey=QFOZOUMGINIUQQ-UHFFFAOYSA-N
Formula
C29H30F3N5O4
Mass
569.585
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
Pyrimidones Aralkylamines Fluorobenzenes Cyclohexylamines Aryl fluorides Vinylogous amides Methyl esters Enoate esters Ureas Amino acids and derivatives Nitriles Monocarboxylic acids and derivatives Dialkylamines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Hydropyrimidine carboxylic acid derivative - Cyclohexylamine - Fluorobenzene - Halobenzene - Pyrimidone - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Enoate ester - Methyl ester - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Urea - Amino acid or derivatives - Carboxylic acid ester - Secondary amine - Azacycle - Carboxylic acid derivative - Nitrile - Carbonitrile - Monocarboxylic acid or derivatives - Secondary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Organic nitrogen compound - Organic oxide - Organohalogen compound - Carbonyl group - Organofluoride - Organonitrogen compound - Amine - Organooxygen 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