Compound Identification
SMILES
[Br-].COC1=NC(=C(C[N+](C)(C)C\C=C\C(=O)NC2=NC=C3N=CN=C(NC4=CC(Br)=C(F)C=C4)C3=C2)N1C)[N+]([O-])=O
InChIKey
InChIKey=NEDMHFBTVUOWTO-IPZCTEOASA-N
Formula
C25H26Br2FN9O4
Mass
695.348
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyridopyrimidines
- Subclass Pyrido[3,4-d]pyrimidines
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Class
Pyridopyrimidines
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Superclass
Organoheterocyclic compounds
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
1,2,4,5-tetrasubstituted imidazoles Aniline and substituted anilines N-arylamides Nitroaromatic compounds Nitroimidazoles Alkyl aryl ethers Aminopyrimidines and derivatives Aralkylamines Bromobenzenes Fluorobenzenes Pyridines and derivatives Aryl bromides Aryl fluorides Imidolactams N-substituted imidazoles Heteroaromatic compounds Tetraalkylammonium salts Amino acids and derivatives Secondary carboxylic acid amides Secondary amines Azacyclic compounds Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organobromides Carbonyl compounds Organofluorides Organic zwitterions Organic oxides Organic bromide salts
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrido[3,4-d]pyrimidine - 1,2,4,5-tetrasubstituted imidazole - Nitroaromatic compound - Nitroimidazole - N-arylamide - Aniline or substituted anilines - Alkyl aryl ether - Aminopyrimidine - Halobenzene - Fluorobenzene - Bromobenzene - Aralkylamine - Pyridine - Pyrimidine - N-substituted imidazole - Aryl bromide - Benzenoid - Imidolactam - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Tetraalkylammonium salt - Imidazole - Quaternary ammonium salt - Heteroaromatic compound - Azole - Amino acid or derivatives - Organic nitro compound - Carboxamide group - Secondary carboxylic acid amide - C-nitro compound - Organic oxoazanium - Azacycle - Organic 1,3-dipolar compound - Carboxylic acid derivative - Ether - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organobromide - Amine - Carbonyl group - Organofluoride - Organic salt - Organic bromide salt - Organic oxygen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic nitrogen compound - Organic oxide - Organonitrogen compound - Organohalogen 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