2-(3-azanylpyridin-2-yl)sulfanyl-1-(azepan-1-yl)propan-1-one

Systemtic Name: 2-(3-azanylpyridin-2-yl)sulfanyl-1-(azepan-1-yl)propan-1-one Openeye Name: 2-[(3-amino-2-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one CAS Name: 2-[(3-amino-2-pyridinyl)thio]-1-(1-azepanyl)-1-propanone IUPAC Name: 2-(3-aminopyridin-2-yl)sulfanyl-1-(azepan-1-yl)propan-1-one Traditional Name: 2-[(3-amino-2-pyridyl)thio]-1-(azepan-1-yl)propan-1-one Formula: C14H21N3OS MolecularWeight: 279.40104

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCCCC1)SC2=C(C=CC=N2)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=C(C=CC=N2)N

InChI

InChI=1S/C14H21N3OS/c1-11(19-13-12(15)7-6-8-16-13)14(18)17-9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,15H2,1H3