Structure Information
Structure

Compound Identification

SMILES

[Ca++].NC1=NC(=O)C2=C(N1)P(O)([O-])([O-])C=N2

InChIKey

InChIKey=XPHRGHMURACVGX-UHFFFAOYSA-N

Formula

C5H5CaN4O4P

Mass

256.171

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Aminopyrimidine - Pyrimidone - Heteroaromatic compound - Vinylogous amide - Organic calcium salt - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Phosphacycle - Azacycle - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic zwitterion - Organic oxygen compound - Primary amine - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidones. These are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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