Structure Information
Structure

Compound Identification

SMILES

CN1C(C)=NC(=C1C[N+](C)(C)C\C=C\C(=O)NC1=NC=C2N=CN=C(NC3=CC(Cl)=C(OCC4=CC=CC=N4)C=C3)C2=C1)[N+]([O-])=O

InChIKey

InChIKey=IPIMJYLRBPRSIF-VQHVLOKHSA-O

Formula

C31H32ClN10O4

Mass

644.11

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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 - Halobenzene - Aminopyrimidine - Chlorobenzene - Aralkylamine - N-substituted imidazole - Aryl chloride - Pyridine - Pyrimidine - Monocyclic benzene moiety - Benzenoid - Aryl halide - Imidolactam - Imidazole - Quaternary ammonium salt - Tetraalkylammonium salt - Azole - Heteroaromatic compound - C-nitro compound - Secondary carboxylic acid amide - Organic nitro compound - Carboxamide group - Amino acid or derivatives - Azacycle - Secondary amine - Carboxylic acid derivative - Ether - Organic oxoazanium - Amine - Organooxygen compound - Carbonyl group - Organic oxygen compound - Organic salt - Organic nitrogen compound - Organonitrogen compound - Organic oxide - Organochloride - 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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