Structure Information
Structure

Compound Identification

SMILES

CC1=C(CCOP(O)(=O)OP(O)(O)=O)SC(=S)N1CC1=CN=C(C)N=C1N

InChIKey

InChIKey=SYRCOKXTJAASDE-UHFFFAOYSA-N

Formula

C12H18N4O7P2S2

Mass

456.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic oxygen compounds

Class

Organic oxoanionic compounds

Subclass

Organic pyrophosphates

Intermediate Tree Nodes

Not available

Direct Parent

Organic pyrophosphates

Alternative Parents

Molecular Framework

Aromatic heteromonocyclic compounds

Substituents

Organic pyrophosphate - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Alkyl phosphate - Imidolactam - Azole - Thiazole - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Organic oxide - Primary amine - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organopnictogen compound - Amine - Hydrocarbon derivative - Aromatic heteromonocyclic compound

Description

This compound belongs to the class of organic compounds known as organic pyrophosphates. These are organic compounds containing the pyrophosphate oxoanion, with the structure OP([O-])(=O)OP(O)([O-])=O.

External Descriptors

Not available

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