Compound Identification
SMILES
COC(=O)C1=C(NC[C@@H]2CNCCO2)C=C(NC2=NC=C(N=C2)C#N)NC1
InChIKey
InChIKey=BWMYVLJTCSXCFJ-LBPRGKRZSA-N
Formula
C17H21N7O3
Mass
371.401
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridines and derivatives
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Subclass
Hydropyridines
- Level 5 Dihydropyridines
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Subclass
Hydropyridines
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Class
Pyridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyridines and derivatives
Subclass
Hydropyridines
Intermediate Tree Nodes
Dihydropyridines
Direct Parent
Dihydropyridinecarboxylic acids and derivatives
Alternative Parents
Aminopyrazines Morpholines Imidolactams Vinylogous amides Enoate esters Heteroaromatic compounds Methyl esters Amino acids and derivatives Ketene acetals Oxacyclic compounds Azacyclic compounds Dialkyl ethers Monocarboxylic acids and derivatives Nitriles Enamines Dialkylamines Carbonyl compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Dihydropyridinecarboxylic acid derivative - Aminopyrazine - Morpholine - Oxazinane - Imidolactam - Pyrazine - Heteroaromatic compound - Vinylogous amide - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Methyl ester - Amino acid or derivatives - Carboxylic acid ester - Ketene acetal or derivatives - Carboxylic acid derivative - Dialkyl ether - Secondary aliphatic amine - Enamine - Ether - Monocarboxylic acid or derivatives - Oxacycle - Carbonitrile - Nitrile - Azacycle - Secondary amine - Carbonyl group - Hydrocarbon derivative - Amine - Cyanide - Organic nitrogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as dihydropyridinecarboxylic acids and derivatives. These are compounds containing a dihydropyridine moiety bearing a carboxylic acid group.
External Descriptors
Not available