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
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
-
Class
Diazines
-
Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Pyrimidones
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Subclass
Pyrimidines and pyrimidine derivatives
-
Class
Diazines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Pyrimidones
Alternative Parents
Aminopyrimidines and derivatives Vinylogous amides Heteroaromatic compounds Propargyl-type 1,3-dipolar organic compounds Phosphacyclic compounds Organic calcium salts Azacyclic compounds Primary amines Organooxygen compounds Organic zwitterions Organic oxides Hydrocarbon derivatives
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