Structure Information
Structure

Compound Identification

SMILES

[O-][N+](=O)C1=CC=CC=C1CSC1=NC(=O)NC2=C1NC=N2

InChIKey

InChIKey=NNGAUHSOFDHKAV-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

Purinone - 6-thiopurine - Nitrobenzene - Aryl thioether - Nitroaromatic compound - Pyrimidone - Alkylarylthioether - Pyrimidine - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Azole - Imidazole - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Organic oxoazanium - Sulfenyl compound - Thioether - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen 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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