Structure Information
Structure

Compound Identification

SMILES

CN1C(=S)N(CC2=CC=CC=C2)C2=NC(C)=C(C=C2C1=O)C(=O)N1CCCC1

InChIKey

InChIKey=AQPOACVLYRWBOW-UHFFFAOYSA-N

Formula

C21H22N4O2S

Mass

394.49

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Pyrido[2,3-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrido[2,3-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrido[2,3-d]pyrimidine - Pyridine carboxylic acid or derivatives - N-acylpyrrolidine - Methylpyridine - Pyrimidinethione - Pyrimidone - Monocyclic benzene moiety - Pyridine - Pyrimidine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Pyrrolidine - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Thiourea - Carboxylic acid derivative - Azacycle - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organosulfur compound - Organic nitrogen compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrido[2,3-d]pyrimidines. These are compounds containing the pyrido[2,3-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 8- position.

External Descriptors

Not available

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