Structure Information
Structure

Compound Identification

SMILES

CC1=C2C(NC3=CC=CC=C3NC2=O)=NC(NCCNCCO)=N1

InChIKey

InChIKey=UAYKBKDCZBWCIE-UHFFFAOYSA-N

Formula

C16H20N6O2

Mass

328.376

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyrimidodiazepines

Subclass

Not available

Intermediate Tree Nodes

Not available

Direct Parent

Pyrimidodiazepines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Benzodiazepine - Pyrimidodiazepine - Para-diazepine - Secondary aliphatic/aromatic amine - Aminopyrimidine - Pyrimidine - Benzenoid - Imidolactam - Vinylogous amide - Heteroaromatic compound - Lactam - Secondary carboxylic acid amide - Amino acid or derivatives - 1,2-aminoalcohol - Carboxamide group - Carboxylic acid derivative - Secondary amine - Alkanolamine - Secondary aliphatic amine - Azacycle - Organic nitrogen compound - Organonitrogen compound - Organooxygen compound - Primary alcohol - Hydrocarbon derivative - Organic oxide - Amine - Organopnictogen compound - Alcohol - Organic oxygen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrimidodiazepines. These are compounds containing a pyrimidoazepine moiety, which consists of a pyrimidine fused to a piperazine ring by a bond. Pyrimidine is 6-membered ring consisting of five carbon atoms and two nitrogen atoms at ring positions 1 and 3. Diazepine is a 7-membered ring consisting of five carbon atoms and two nitrogen centers.

External Descriptors

Not available

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