Compound Identification
SMILES
OC(=O)C(O)=O.CCN(CC)CCNC1=NC2=C(C3=C(CCC(C)C3)S2)C2=NC(C)=NN12
InChIKey
InChIKey=VUJAUDBRPYAYQP-UHFFFAOYSA-N
Formula
C21H30N6O4S
Mass
462.57
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
Thienopyrimidines Secondary alkylarylamines Aminopyrimidines and derivatives Dicarboxylic acids and derivatives Triazoles Thiophenes Heteroaromatic compounds Trialkylamines Carboxylic acids Azacyclic compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework
Not available
Substituents
Triazolopyrimidine - Thienopyrimidine - Aminopyrimidine - Secondary aliphatic/aromatic amine - Dicarboxylic acid or derivatives - Pyrimidine - Azole - Heteroaromatic compound - 1,2,4-triazole - Triazole - Thiophene - Tertiary amine - Tertiary aliphatic amine - Secondary amine - Azacycle - Carboxylic acid - Carboxylic acid derivative - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organic oxide - Carbonyl group - Organic oxygen compound - Amine - 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