Structure Information
Structure

Compound Identification

SMILES

CC(C)S(=O)(=O)CCOCCC1=NC(=CS1)C1=NC=C2N=CN=C(NC3=CC(Br)=C(OCC4=CC(F)=CC=C4)C=C3)C2=C1

InChIKey

InChIKey=LNJRPAXXYWMENU-UHFFFAOYSA-N

Formula

C30H29BrFN5O4S2

Mass

686.62

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organoheterocyclic compounds

Class

Pyridopyrimidines

Subclass

Pyrido[3,4-d]pyrimidines

Intermediate Tree Nodes

Not available

Direct Parent

Pyrido[3,4-d]pyrimidines

Alternative Parents

Molecular Framework

Aromatic heteropolycyclic compounds

Substituents

Pyrido[3,4-d]pyrimidine - Phenoxy compound - Aniline or substituted anilines - Phenol ether - 2,4-disubstituted 1,3-thiazole - Alkyl aryl ether - Aminopyrimidine - Bromobenzene - Fluorobenzene - Halobenzene - Aryl bromide - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Imidolactam - Pyridine - Pyrimidine - Benzenoid - Thiazole - Sulfonyl - Sulfone - Azole - Heteroaromatic compound - Secondary amine - Dialkyl ether - Azacycle - Ether - Amine - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Organobromide - Organic nitrogen compound - Organic oxygen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Organosulfur compound - Aromatic heteropolycyclic compound

Description

This compound belongs to the class of organic compounds known as pyrido[3,4-d]pyrimidines. These are compounds containing the pyrido[3,4-d]pyrimidine ring system, which is a pyridopyrimidine isomer with three ring nitrogen atoms at the 1-, 3-, and 7- position.

External Descriptors

Not available

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