propyl 5-methyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate

Systemtic Name: propyl 5-methyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: propyl 5-methyl-2-propylsulfanyl-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(propylthio)-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester IUPAC Name: propyl 5-methyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Traditional Name: 5-methyl-2-(propylthio)-7-(4-pyridyl)-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylic acid propyl ester Formula: C18H23N5O2S MolecularWeight: 373.47252

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=NC=C3)SCCC)C

Isomeric SMILES

CCCOC(=O)C1=C(N=C2N=C(NN2C1C3=CC=NC=C3)SCCC)C

InChI

InChI=1S/C18H23N5O2S/c1-4-10-25-16(24)14-12(3)20-17-21-18(26-11-5-2)22-23(17)15(14)13-6-8-19-9-7-13/h6-9,15H,4-5,10-11H2,1-3H3,(H,20,21,22)