Compound Identification
SMILES
COC1=CC=C(NC(NC#N)=N[C@H]2[C@H](O)C(C)(C)OC3=C2C=C(C=C3)C#N)C=C1
InChIKey
InChIKey=APPZRPVFEIBKLL-MOPGFXCFSA-N
Formula
C21H21N5O3
Mass
391.431
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
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Subclass
1-benzopyrans
- Level 5 2,2-dimethyl-1-benzopyrans
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Subclass
1-benzopyrans
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Class
Benzopyrans
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Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzopyrans
Subclass
1-benzopyrans
Intermediate Tree Nodes
Not available
Direct Parent
2,2-dimethyl-1-benzopyrans
Alternative Parents
Methoxyanilines Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Secondary alcohols Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Nitriles Carboximidamides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
2,2-dimethyl-1-benzopyran - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Guanidine - Secondary alcohol - Oxacycle - Carboximidamide - Nitrile - Carbonitrile - Ether - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Alcohol - Cyanide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 2,2-dimethyl-1-benzopyrans. These are organic compounds containing a 1-benzopyran moiety that carries two methyl groups at the 2-position.
External Descriptors
Not available