Compound Identification
SMILES
CCCN(CCC1=CC=CC=C1)C(=O)[C@@H]1OC(=C[C@H](N=C(N)N)[C@H]1NC(C)=O)C(O)=O
InChIKey
InChIKey=NIDXIPGDCIYKEC-CGTJXYLNSA-N
Formula
C21H29N5O5
Mass
431.493
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Pyrans
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Pyrans
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Pyrans
Alternative Parents
Benzene and substituted derivatives Tertiary carboxylic acid amides Acetamides Secondary carboxylic acid amides Guanidines Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Monocarboxylic acids and derivatives Carboxylic acids Carboximidamides Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Aromatic heteromonocyclic compounds
Substituents
Monocyclic benzene moiety - Pyran - Benzenoid - Tertiary carboxylic acid amide - Acetamide - Carboxamide group - Guanidine - Secondary carboxylic acid amide - Propargyl-type 1,3-dipolar organic compound - Carboximidamide - Monocarboxylic acid or derivatives - Carboxylic acid - Carboxylic acid derivative - Organic 1,3-dipolar compound - Oxacycle - Organic oxide - Organopnictogen compound - Carbonyl group - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Aromatic heteromonocyclic compound
Description
This compound belongs to the class of organic compounds known as pyrans. These are compounds containing a pyran ring, which is a six-member heterocyclic, non-aromatic ring with five carbon atoms, one oxygen atom and two ring double bonds.
External Descriptors
Not available