Compound Identification
SMILES
COC1=CC=C(CC2=CC3=CN=C(N=C3N2CC(C)(C)C)C#N)C=C1
InChIKey
InChIKey=OSDDWOIIKLKPAK-UHFFFAOYSA-N
Formula
C20H22N4O
Mass
334.423
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
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Superclass
Organoheterocyclic compounds
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Class
Pyrrolopyrimidines
- Subclass Pyrrolo[2,3-d]pyrimidines
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Class
Pyrrolopyrimidines
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrrolopyrimidines
Subclass
Pyrrolo[2,3-d]pyrimidines
Intermediate Tree Nodes
Not available
Direct Parent
Pyrrolo[2,3-d]pyrimidines
Alternative Parents
Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Substituted pyrroles Pyrimidines and pyrimidine derivatives Heteroaromatic compounds Nitriles Azacyclic compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Pyrrolo[2,3-d]pyrimidine - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Pyrimidine - Substituted pyrrole - Benzenoid - Heteroaromatic compound - Pyrrole - Nitrile - Carbonitrile - Ether - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as pyrrolo[2,3-d]pyrimidines. These are aromatic heteropolycyclic compounds containing a pyrrolo[2,3-d]pyrimidine ring system, which is an pyrrolopyrimidine isomers having the 3 ring nitrogen atoms at the 1-, 5-, and 7-positions.
External Descriptors
Not available