Structure Information
Structure

Compound Identification

SMILES

CC(C)(C)OC(=O)N1CC[C@H](C1)N1C(=O)NC2=CN=C(N=C12)C1=C2C=C(C=CN2N=C1)C#N

InChIKey

InChIKey=DCRWPCZFLDSDNQ-CQSZACIVSA-N

Formula

C22H22N8O3

Mass

446.471

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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

Purinones

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Purinone - Pyrazolopyridine - Pyrrolidine carboxylic acid or derivatives - Pyrrolidine carboxylic acid - N-substituted imidazole - Pyrimidine - Pyridine - Azole - Imidazole - Pyrazole - Heteroaromatic compound - Carbamic acid ester - Pyrrolidine - Urea - Carbonitrile - Nitrile - Azacycle - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Cyanide - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Carbonyl group - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as purinones. These are purines in which the purine moiety bears a C=O group. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.

External Descriptors

Not available

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