3-azanyl-N-(5-bromanylpyridin-2-yl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide

Systemtic Name: 3-azanyl-N-(5-bromanylpyridin-2-yl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Openeye Name: 3-amino-N-(5-bromo-2-pyridyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide CAS Name: 3-amino-N-(5-bromo-2-pyridinyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide IUPAC Name: 3-amino-N-(5-bromopyridin-2-yl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Traditional Name: 3-amino-N-(5-bromo-2-pyridyl)-6-tert-butyl-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide Formula: C21H23BrN4OS MolecularWeight: 459.40252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=NC=C(C=C4)Br)N

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C=C3C(=C(SC3=N2)C(=O)NC4=NC=C(C=C4)Br)N

InChI

InChI=1S/C21H23BrN4OS/c1-21(2,3)12-4-6-15-11(8-12)9-14-17(23)18(28-20(14)25-15)19(27)26-16-7-5-13(22)10-24-16/h5,7,9-10,12H,4,6,8,23H2,1-3H3,(H,24,26,27)