tert-butyl 4-(2-sulfanylidene-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-(2-sulfanylidene-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)piperazine-1-carboxylate Openeye Name: tert-butyl 4-(2-thioxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)piperazine-1-carboxylate CAS Name: 4-(2-sulfanylidene-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(2-sulfanylidene-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)piperazine-1-carboxylate Traditional Name: 4-(2-thioxo-1,3-dihydroimidazo[4,5-b]pyridin-7-yl)piperazine-1-carboxylic acid tert-butyl ester Formula: C15H21N5O2S MolecularWeight: 335.42454

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=NC=C2)NC(=S)N3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=C3C(=NC=C2)NC(=S)N3

InChI

InChI=1S/C15H21N5O2S/c1-15(2,3)22-14(21)20-8-6-19(7-9-20)10-4-5-16-12-11(10)17-13(23)18-12/h4-5H,6-9H2,1-3H3,(H2,16,17,18,23)