Compound Identification
SMILES
CC(C)C(O)=NC1=NC(O)=C2N=C(CNC3=CC=C(C=C3)C(O)=O)C=NC2=N1
InChIKey
InChIKey=PUPKFDABEYZUNR-UHFFFAOYSA-N
Formula
C18H18N6O4
Mass
382.38
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pteridines and derivatives
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Subclass
Pterins and derivatives
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Level 5
Pteroic acids and derivatives
- Level 6 Pteroic acids
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Level 5
Pteroic acids and derivatives
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Subclass
Pterins and derivatives
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Class
Pteridines and derivatives
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pteridines and derivatives
Subclass
Pterins and derivatives
Intermediate Tree Nodes
Pteroic acids and derivatives
Direct Parent
Pteroic acids
Alternative Parents
Aminobenzoic acids Benzoic acids Phenylalkylamines Benzoyl derivatives Aniline and substituted anilines Secondary alkylarylamines Hydroxypyrimidines Pyrazines Heteroaromatic compounds Amino acids Propargyl-type 1,3-dipolar organic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidic acids Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pteroic acid - Aminobenzoic acid or derivatives - Aminobenzoic acid - Benzoic acid - Benzoic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Benzoyl - Hydroxypyrimidine - Aralkylamine - Secondary aliphatic/aromatic amine - Benzenoid - Pyrimidine - Pyrazine - Monocyclic benzene moiety - Heteroaromatic compound - Amino acid - Amino acid or derivatives - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Secondary amine - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Carboximidic acid derivative - Carboximidic acid - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pteroic acids. These are compounds that are composed of a pterin with a 4-aminobenzoic acid at the 6 position on the pteridine ring.
External Descriptors
Not available