tert-butyl 4-(2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-(1-ethylpropylsulfanyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate CAS Name: 4-[2-(pentan-3-ylthio)-1H-imidazo[4,5-b]pyridin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate Traditional Name: 4-[2-(1-ethylpropylthio)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H31N5O2S MolecularWeight: 405.55744

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=C(N1)C=CC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)SC1=NC2=C(N1)C=CC(=N2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H31N5O2S/c1-6-14(7-2)28-18-21-15-8-9-16(22-17(15)23-18)24-10-12-25(13-11-24)19(26)27-20(3,4)5/h8-9,14H,6-7,10-13H2,1-5H3,(H,21,22,23)