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

Systemtic Name: butyl 5-methyl-2-propylsulfanyl-7-pyridin-4-yl-1,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate Openeye Name: butyl 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 butyl ester IUPAC Name: butyl 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 butyl ester Formula: C19H25N5O2S MolecularWeight: 387.4991

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25N5O2S/c1-4-6-11-26-17(25)15-13(3)21-18-22-19(27-12-5-2)23-24(18)16(15)14-7-9-20-10-8-14/h7-10,16H,4-6,11-12H2,1-3H3,(H,21,22,23)