Structure Information
Structure

Compound Identification

SMILES

NCCSSCCC(=O)NCC#CC1=CN([C@H]2C[C@H](O)[C@@H](COP(O)(=O)OP(O)(=O)OP(O)(O)=O)O2)C2=C1C(N)=NC=N2

InChIKey

InChIKey=HXCGIYSTHRYTHO-SQWLQELKSA-N

Formula

C19H29N6O13P3S2

Mass

706.51

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrrolopyrimidines

Subclass

Pyrrolo[2,3-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrrolo[2,3-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrrolo[2,3-d]pyrimidine - Aminopyrimidine - Monoalkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Pyrimidine - Substituted pyrrole - Alkyl phosphate - Imidolactam - Heteroaromatic compound - Oxolane - Pyrrole - Dialkyldisulfide - Carboxamide group - Organic disulfide - Amino acid or derivatives - Secondary alcohol - Secondary carboxylic acid amide - Sulfenyl compound - Azacycle - Oxacycle - Carboxylic acid derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Alcohol - Carbonyl group - Primary aliphatic amine - Organosulfur compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Organic oxide - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.

External Descriptors

Not available

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