N-(1-adamantyl)-2-[(2-azanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide

Systemtic Name: N-(1-adamantyl)-2-[(2-azanylpyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Openeye Name: N-(1-adamantyl)-2-[(2-amino-4-pyridyl)methylsulfanyl]pyridine-3-carboxamide CAS Name: N-(1-adamantyl)-2-[(2-amino-4-pyridinyl)methylthio]-3-pyridinecarboxamide IUPAC Name: N-(1-adamantyl)-2-[(2-aminopyridin-4-yl)methylsulfanyl]pyridine-3-carboxamide Traditional Name: N-(1-adamantyl)-2-[(2-amino-4-pyridyl)methylthio]nicotinamide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC5=CC(=NC=C5)N

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)NC(=O)C4=C(N=CC=C4)SCC5=CC(=NC=C5)N

InChI

InChI=1S/C22H26N4OS/c23-19-9-14(3-5-24-19)13-28-21-18(2-1-4-25-21)20(27)26-22-10-15-6-16(11-22)8-17(7-15)12-22/h1-5,9,15-17H,6-8,10-13H2,(H2,23,24)(H,26,27)