tert-butyl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(6-chloranyl-2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-[6-chloro-2-(1-ethylpropylsulfanyl)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylate CAS Name: 4-[6-chloro-2-(pentan-3-ylthio)-1H-imidazo[4,5-b]pyridin-5-yl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(6-chloro-2-pentan-3-ylsulfanyl-1H-imidazo[4,5-b]pyridin-5-yl)piperazine-1-carboxylate Traditional Name: 4-[6-chloro-2-(1-ethylpropylthio)-1H-imidazo[4,5-b]pyridin-5-yl]piperazine-1-carboxylic acid tert-butyl ester Formula: C20H30ClN5O2S MolecularWeight: 440.0025

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)SC1=NC2=NC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(CC)SC1=NC2=NC(=C(C=C2N1)Cl)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H30ClN5O2S/c1-6-13(7-2)29-18-22-15-12-14(21)17(23-16(15)24-18)25-8-10-26(11-9-25)19(27)28-20(3,4)5/h12-13H,6-11H2,1-5H3,(H,22,23,24)