Compound Identification
SMILES
COC(=O)N1CCC(CC1)Oc1cccc(c1)[C@@H](CC#N)Nc1nc2[nH]c(C)cc(=O)n2n1
InChIKey
InChIKey=XJZSIQWACGXJSX-GOSISDBHSA-N
Formula
C22H25N7O4
Mass
451.487
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
Piperidinecarboxylic acids Phenoxy compounds Phenol ethers Secondary alkylarylamines Pyrimidones Alkyl aryl ethers Vinylogous amides Triazoles Methylcarbamates Heteroaromatic compounds Organic carbonic acids and derivatives Lactams Nitriles Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Triazolopyrimidine - Piperidinecarboxylic acid - Phenoxy compound - Phenol ether - Secondary aliphatic/aromatic amine - Pyrimidone - Alkyl aryl ether - Benzenoid - Pyrimidine - Piperidine - Monocyclic benzene moiety - Methylcarbamate - Heteroaromatic compound - Vinylogous amide - Carbamic acid ester - Triazole - Azole - Carbonic acid derivative - Lactam - Azacycle - Secondary amine - Nitrile - Carbonitrile - Ether - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Amine - 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