Compound Identification
SMILES
COC1=C(OC)C=C(CCNC2=NC=CC(=N2)C2=CC(CC(=O)CCCN3CCOCC3)=CC=C2)C=C1
InChIKey
InChIKey=KTRFSYGMAOEXSC-UHFFFAOYSA-N
Formula
C29H36N4O4
Mass
504.631
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Diazines
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Subclass
Pyrimidines and pyrimidine derivatives
- Level 5 Phenylpyrimidines
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Subclass
Pyrimidines and pyrimidine derivatives
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Class
Diazines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Diazines
Subclass
Pyrimidines and pyrimidine derivatives
Intermediate Tree Nodes
Not available
Direct Parent
Phenylpyrimidines
Alternative Parents
Dimethoxybenzenes Phenoxy compounds Anisoles Secondary alkylarylamines Aminopyrimidines and derivatives Alkyl aryl ethers Morpholines Gamma-amino ketones Heteroaromatic compounds Trialkylamines Oxacyclic compounds Dialkyl ethers Azacyclic compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
4-phenylpyrimidine - Dimethoxybenzene - O-dimethoxybenzene - Anisole - Phenol ether - Phenoxy compound - Methoxybenzene - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Aminopyrimidine - Gamma-aminoketone - Morpholine - Oxazinane - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Ketone - Tertiary amine - Tertiary aliphatic amine - Azacycle - Oxacycle - Ether - Secondary amine - Dialkyl ether - Organic oxide - Organonitrogen compound - Organooxygen compound - Carbonyl group - Amine - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as phenylpyrimidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrimidine ring through a CC or CN bond. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available