Structure Information
Structure

Compound Identification

SMILES

Cl.CN1C=C(NCCCCN2C(=O)N=C3N(C)C4=C(C=C(C)C(C)=C4)N=C3C2=O)C=C1C(=O)NC1=CN(C)C(=C1)C(=O)NC1=CN(C)C(=C1)C(=O)NCCC(N)=N

InChIKey

InChIKey=VEMMPENOCDDBKC-UHFFFAOYSA-N

Formula

C38H46ClN13O5

Mass

800.32

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pteridines and derivatives

Subclass

Alloxazines and isoalloxazines

Intermediate Tree Nodes

Not available

Direct Parent

Flavins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Flavin - Quinoxaline - 2-heteroaryl carboxamide - Pyrrole-2-carboxamide - Pyrrole-2-carboxylic acid or derivatives - Pyrimidone - Secondary aliphatic/aromatic amine - N-methylpyrrole - Pyrazine - Pyrimidine - Benzenoid - Substituted pyrrole - Heteroaromatic compound - Pyrrole - Vinylogous amide - Amino acid or derivatives - Secondary carboxylic acid amide - Carboxamide group - Lactam - Secondary amine - Azacycle - Amidine - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Amine - Organic oxygen compound - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Hydrochloride - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as flavins. These are compounds containing a flavin (7,8-dimethyl-benzo[g]pteridine-2,4-dione) moiety, with a structure characterized by an isoalloaxzine tricyclic ring.

External Descriptors

Not available

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