Compound Identification
SMILES
CCCCCOC(=O)C1=C(C)N=C2N=CNN2C1C1=CC(=CC=C1)[N+]([O-])=O
InChIKey
InChIKey=NJXKZVINPAKNAS-UHFFFAOYSA-N
Formula
C18H21N5O4
Mass
371.397
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Organoheterocyclic compounds
- Class Triazolopyrimidines
-
Superclass
Organoheterocyclic compounds
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Triazolopyrimidines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Triazolopyrimidines
Alternative Parents
Nitrobenzenes Nitroaromatic compounds Hydropyrimidines Triazolines Enoate esters Amidrazones Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Formamidines Monocarboxylic acids and derivatives Organic oxoazanium compounds Hydrocarbon derivatives Organic salts Imines Organic zwitterions Carbonyl compounds Organic oxides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Nitrobenzene - Triazolopyrimidine - Nitroaromatic compound - Monocyclic benzene moiety - Hydropyrimidine - 1,6-dihydropyrimidine - Benzenoid - Triazoline - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid amidrazone - Carboxylic acid ester - C-nitro compound - Organic nitro compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Amidine - Formamidine - Monocarboxylic acid or derivatives - Organic oxoazanium - Azacycle - Carbonyl group - Imine - Organic oxide - Organic salt - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic zwitterion - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as triazolopyrimidines. These are polycyclic aromatic compounds containing triazole ring fused to a pyrimidine ring. Triazole is a five-membered ring consisting of two carbon atoms and three nitrogen atoms. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions.
External Descriptors
Not available