Compound Identification
SMILES
COC1=C2OCCCC2=C(F)C(=C1)C(NC1=CC=C(C=C1)C(N)=N)C1=NC(=O)N(N1)C1=C(SC=C1)C(O)=O
InChIKey
InChIKey=PGDHGWBLUOICKS-UHFFFAOYSA-N
Formula
C25H23FN6O5S
Mass
538.55
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
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Class
Benzopyrans
- 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
1-benzopyrans
Alternative Parents
Aniline and substituted anilines Thiophene carboxylic acids Phenylalkylamines Anisoles Alkyl aryl ethers Secondary alkylarylamines Aryl fluorides Vinylogous amides Triazoles Heteroaromatic compounds Amino acids Carboxylic acids Carboximidamides Carboxamidines Azacyclic compounds Oxacyclic compounds Organofluorides Hydrocarbon derivatives Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
1-benzopyran - Anisole - Phenol ether - Thiophene carboxylic acid - Thiophene carboxylic acid or derivatives - Phenylalkylamine - Aniline or substituted anilines - Alkyl aryl ether - Secondary aliphatic/aromatic amine - Aralkylamine - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azole - Vinylogous amide - 1,2,4-triazole - Thiophene - Amino acid - Amino acid or derivatives - Amidine - Oxacycle - Azacycle - Carboximidamide - Carboxylic acid amidine - Carboxylic acid derivative - Carboxylic acid - Ether - Secondary amine - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 1-benzopyrans. These are organic aromatic compounds that 1-benzopyran, a bicyclic compound made up of a benzene ring fused to a pyran, so that the oxygen atom is at the 1-position.
External Descriptors
Not available