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
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 N-arylamides Nitroaromatic compounds Nitroimidazoles Aniline and substituted anilines Phenol ethers Phenoxy compounds Aminopyrimidines and derivatives Aralkylamines Fluorobenzenes Alkyl aryl ethers Imidolactams N-substituted imidazoles Aryl fluorides Pyridines and derivatives Heteroaromatic compounds Tetraalkylammonium salts Amino acids and derivatives Secondary carboxylic acid amides Secondary amines Organic oxoazanium compounds Nitriles Azacyclic compounds Organic oxides Organic salts Organofluorides Carbonyl compounds Hydrocarbon derivatives Organic cations
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