Structure Information
Structure

Compound Identification

SMILES

CCCN1C2=C(NC(=N2)C2CC3CCC(C2)C3C[NH2+]CCNC2=NC=C(C=C2)[N+]([O-])=O)C(=O)N(CCC)C1=O

InChIKey

InChIKey=BVHQIFOJKJEMIS-UHFFFAOYSA-O

Formula

C27H39N8O4

Mass

539.66

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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

Xanthines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Xanthine - 6-oxopurine - Purinone - Alkaloid or derivatives - Nitroaromatic compound - Aminopyridine - Aralkylamine - Pyrimidone - Pyridine - Pyrimidine - Imidolactam - Azole - Imidazole - Heteroaromatic compound - Vinylogous amide - Quaternary ammonium salt - Lactam - C-nitro compound - Organic nitro compound - Urea - Azacycle - Organic oxoazanium - Secondary aliphatic amine - Secondary amine - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - Organic nitrogen compound - Organic oxide - Organopnictogen compound - Organic salt - Organic cation - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as xanthines. These are purine derivatives with a ketone group conjugated at carbons 2 and 6 of the purine moiety.

External Descriptors

Not available

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