Compound Identification
SMILES
COC(=O)C1=CN=C2N(C=C(C(=O)N2C2=CC=C(C)C=C2)C2=CC=CC=C2)C1=O
InChIKey
InChIKey=JOCYZKITWVVFAV-UHFFFAOYSA-N
Formula
C22H17N3O4
Mass
387.395
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Level 5
Pyrimidinecarboxylic acids and derivatives
- Level 6 Pyrimidinecarboxylic acids
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Level 5
Pyrimidinecarboxylic acids and derivatives
-
Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Pyrimidinecarboxylic acids and derivatives
Direct Parent
Pyrimidinecarboxylic acids
Alternative Parents
Toluenes Pyrimidones Vinylogous amides Methyl esters Heteroaromatic compounds Lactams Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrimidine-5-carboxylic acid - Pyrimidone - Toluene - Monocyclic benzene moiety - Benzenoid - Methyl ester - Vinylogous amide - Heteroaromatic compound - Lactam - Carboxylic acid ester - Monocarboxylic acid or derivatives - Azacycle - Carboxylic acid derivative - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrimidinecarboxylic acids. These are pyrimidines with a structure containing a carboxyl group attached to the pyrimidine ring.
External Descriptors
Not available