N-butyl-6-pyridin-2-yl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide

Systemtic Name: N-butyl-6-pyridin-2-yl-pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Openeye Name: N-butyl-6-(2-pyridyl)pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide CAS Name: N-butyl-6-(2-pyridinyl)-3-pyrazino[2,3-b][1,4]benzothiazepinecarboxamide IUPAC Name: N-butyl-6-pyridin-2-ylpyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Traditional Name: N-butyl-6-(2-pyridyl)pyrazino[2,3-b][1,4]benzothiazepine-3-carboxamide Formula: C21H19N5OS MolecularWeight: 389.47346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=CN=C2C(=N1)N=C(C3=CC=CC=C3S2)C4=CC=CC=N4

Isomeric SMILES

CCCCNC(=O)C1=CN=C2C(=N1)N=C(C3=CC=CC=C3S2)C4=CC=CC=N4

InChI

InChI=1S/C21H19N5OS/c1-2-3-11-23-20(27)16-13-24-21-19(25-16)26-18(15-9-6-7-12-22-15)14-8-4-5-10-17(14)28-21/h4-10,12-13H,2-3,11H2,1H3,(H,23,27)