Structure Information
Structure

Compound Identification

SMILES

O=C(N1CCC2=C(C1)NN=C2CNC1=NC=CC=N1)C1(CC1)C#N

InChIKey

InChIKey=BLCBJXXZBFQALP-UHFFFAOYSA-N

Formula

C16H17N7O

Mass

323.36

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Diazines

Subclass

Pyrimidines and pyrimidine derivatives

Intermediate Tree Nodes

Not available

Direct Parent

Aminopyrimidines and derivatives

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Secondary aliphatic/aromatic amine - Aminopyrimidine - Cyclopropanecarboxylic acid or derivatives - Heteroaromatic compound - Tertiary carboxylic acid amide - Pyrazole - Azole - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Nitrile - Carbonitrile - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Amine - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as aminopyrimidines and derivatives. These are organic compounds containing an amino group attached to a pyrimidine ring. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.

External Descriptors

Not available

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