Structure Information
Structure

Compound Identification

SMILES

CO[C@]12[C@H]3N[C@H]3CN1C1=C([C@H]2COC(N)=O)C(=O)C(N)=C(CSC2=CC=CS2)C1=O

InChIKey

InChIKey=NDZQYTFEMGIFRF-ITEYQGMCSA-N

Formula

C19H20N4O5S2

Mass

448.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Indoles and derivatives

Subclass

Indolequinones

Intermediate Tree Nodes

Mitomycins, mitosane and mitosene derivatives

Direct Parent

Mitomycins

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Mitomycin - Indole - Aryl thioether - Pyrrolizine - Quinone - Alkylarylthioether - 1,4-diazinane - Piperazine - Pyrrolidine - Pyrroline - Heteroaromatic compound - Thiophene - Carbamic acid ester - Vinylogous amide - Ketone - Azacycle - Aziridine - Sulfenyl compound - Secondary aliphatic amine - Thioether - Secondary amine - Enamine - Organic nitrogen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organooxygen compound - Organic oxygen compound - Organosulfur compound - Hydrocarbon derivative - Primary amine - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as mitomycins. These are polycyclic compounds with a structure based on an aziridine ring linked to a 7-amino-6-methyl-cyclohexa[b]pyrrolizine-5,8-dione.

External Descriptors

Not available

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