Compound Identification
SMILES
OC(=O)CN1N=NC(=N1)C1=CN=C(S1)N1CCC2(CC1)OC1=CC=CC=C1C(=C2)C1=C(Cl)C=CC=C1Cl
InChIKey
InChIKey=ONLOFBWYZKZTPZ-UHFFFAOYSA-N
Formula
C25H20Cl2N6O3S
Mass
555.43
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Phenylpropanoids and polyketides
-
Class
Neoflavonoids
- Subclass Neoflavenes
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Class
Neoflavonoids
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Superclass
Phenylpropanoids and polyketides
Kingdom
Organic compounds
Superclass
Phenylpropanoids and polyketides
Class
Neoflavonoids
Subclass
Neoflavenes
Intermediate Tree Nodes
Not available
Direct Parent
Neoflavenes
Alternative Parents
1-benzopyrans Alpha amino acids and derivatives Dichlorobenzenes Dialkylarylamines 2,5-disubstituted thiazoles Alkyl aryl ethers Piperidines 2-amino-1,3-thiazoles Aryl chlorides Tetrazoles Heteroaromatic compounds Amino acids Azacyclic compounds Carboxylic acids Oxacyclic compounds Monocarboxylic acids and derivatives Hydrocarbon derivatives Organic oxides Organochlorides Carbonyl compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Neoflavene - Alpha-amino acid or derivatives - Benzopyran - 1-benzopyran - 1,3-dichlorobenzene - Dialkylarylamine - 2,5-disubstituted 1,3-thiazole - Alkyl aryl ether - Halobenzene - Chlorobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Piperidine - 1,3-thiazol-2-amine - Benzenoid - Tetrazole - Thiazole - Heteroaromatic compound - Azole - Amino acid - Tertiary amine - Amino acid or derivatives - Oxacycle - Azacycle - Organoheterocyclic compound - Carboxylic acid derivative - Carboxylic acid - Ether - Monocarboxylic acid or derivatives - Organonitrogen compound - Organooxygen compound - Organic oxide - Organic oxygen compound - Carbonyl group - Amine - Hydrocarbon derivative - Organochloride - Organohalogen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as neoflavenes. These are neoflavonoids with a structure based on a 4-phenylchromene skeleton.
External Descriptors
Not available