Structure Information
Structure

Compound Identification

SMILES

NCCN.CN1C2=C(NC=N2)C(=O)N(C)C1=O.OC1=C(O)C=C2C(CS(O)(=O)=O)=CC(=O)OC2=C1

InChIKey

InChIKey=CMUDYNHBDPWZJI-UHFFFAOYSA-N

Formula

C19H24N6O9S

Mass

512.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Phenylpropanoids and polyketides

Class

Coumarins and derivatives

Subclass

Hydroxycoumarins

Intermediate Tree Nodes

Not available

Direct Parent

6,7-dihydroxycoumarins

Alternative Parents

Molecular Framework

Not available

Substituents

6,7-dihydroxycoumarin - 7-hydroxycoumarin - Xanthine - 6-oxopurine - Benzopyran - Purinone - 1-benzopyran - Imidazopyrimidine - Purine - Alkaloid or derivatives - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Pyranone - Pyrimidone - Pyran - Pyrimidine - Benzenoid - Organosulfonic acid - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Alkanesulfonic acid - Sulfonyl - Vinylogous amide - Azole - Imidazole - Heteroaromatic compound - Urea - Lactam - Lactone - Organoheterocyclic compound - Azacycle - Oxacycle - Organic oxide - Primary aliphatic amine - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Amine - Organic nitrogen compound - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as 6,7-dihydroxycoumarins. These are coumarins bearing two hydroxyl groups at positions 6 and 7 of the coumarin skeleton, respectively.

External Descriptors

Not available

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