Structure Information
Structure

Compound Identification

SMILES

CN1C(C[N+](C)(C)C\C=C\C(=O)NC2=NC=C3N=CN=C(NC4=CC(F)=C(OCC5=CC=CC=N5)C=C4)C3=C2)=C(N=C1C#N)[N+]([O-])=O

InChIKey

InChIKey=PUSRKPBVJDAMKV-SOFGYWHQSA-O

Formula

C31H29FN11O4

Mass

638.644

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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 - 1,2,4,5-tetrasubstituted imidazole - Phenoxy compound - Nitroaromatic compound - Nitroimidazole - Phenol ether - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Aralkylamine - N-substituted imidazole - Aryl fluoride - Pyridine - Pyrimidine - Aryl halide - Monocyclic benzene moiety - Benzenoid - Imidolactam - Quaternary ammonium salt - Imidazole - Tetraalkylammonium salt - Heteroaromatic compound - Azole - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Amino acid or derivatives - Organic nitro compound - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Organic oxoazanium - Carbonitrile - Nitrile - Cyanide - Amine - Organic oxygen compound - Carbonyl group - Organic salt - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - Organic cation - 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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