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
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
Phenoxy compounds Phenol ethers Aniline and substituted anilines 2,4-disubstituted thiazoles Alkyl aryl ethers Aminopyrimidines and derivatives Bromobenzenes Fluorobenzenes Pyridines and derivatives Aryl bromides Imidolactams Aryl fluorides Sulfones Heteroaromatic compounds Azacyclic compounds Secondary amines Dialkyl ethers Hydrocarbon derivatives Organic oxides Organobromides Organofluorides
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