Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC(CSC2=NC(=O)C3N=CN=C3N2)=C1

InChIKey

InChIKey=FFGHVEBPECDWDP-UHFFFAOYSA-N

Formula

C12H9N5O3S

Mass

303.3

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Imidazopyrimidines

Subclass

Purines and purine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Purinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Alpha-amino acid or derivatives - Purinone - Nitrobenzene - Nitroaromatic compound - Pyrimidone - Monocyclic benzene moiety - Hydropyrimidine - 1,4,5,6-tetrahydropyrimidine - Pyrimidine - Imidolactam - Benzenoid - Imidazole - Isothiourea - C-nitro compound - Organic nitro compound - N-acylimine - Allyl-type 1,3-dipolar organic compound - Amidine - Carboxylic acid amidine - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Azacycle - Sulfenyl compound - Organic 1,3-dipolar compound - Carboximidamide - Carbonyl group - Organic zwitterion - Hydrocarbon derivative - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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