Structure Information
Structure

Compound Identification

SMILES

CN1C=NC2=C1C(=O)N(C)C(=O)N2C.CC(C)CC1=CC=C(C=C1)C(C)C(O)=O.CNS(=O)(=O)CCC1=CC2=C(NC=C2C2CCN(C)CC2)C=C1

InChIKey

InChIKey=VDBPCWJYJJFANS-UHFFFAOYSA-N

Formula

C38H53N7O6S

Mass

735.95

Export to:

JSON SDF CSV

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

Not available

Substituents

2-phenylpropanoic-acid - Xanthine - 6-oxopurine - P-cymene - Aromatic monoterpenoid - Monoterpenoid - Purinone - 3-alkylindole - Indole - Indole or derivatives - Phenylpropane - Alkaloid or derivatives - Aralkylamine - Pyrimidone - N-substituted imidazole - Monocyclic benzene moiety - Piperidine - Benzenoid - Organosulfonic acid amide - Pyrimidine - Organic sulfonic acid amide - Substituted pyrrole - Imidazole - Vinylogous amide - Azole - Aminosulfonyl compound - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Urea - Tertiary aliphatic amine - Lactam - Tertiary amine - Azacycle - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Organic oxygen compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Amine - Organosulfur compound - 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

Previous Back Next