2-(3-azanylpyridin-4-yl)sulfanyl-1-(azepan-1-yl)propan-1-one

Systemtic Name: 2-(3-azanylpyridin-4-yl)sulfanyl-1-(azepan-1-yl)propan-1-one Openeye Name: 2-[(3-amino-4-pyridyl)sulfanyl]-1-(azepan-1-yl)propan-1-one CAS Name: 2-[(3-amino-4-pyridinyl)thio]-1-(1-azepanyl)-1-propanone IUPAC Name: 2-(3-aminopyridin-4-yl)sulfanyl-1-(azepan-1-yl)propan-1-one Traditional Name: 2-[(3-amino-4-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=NC=C2)N

Isomeric SMILES

CC(C(=O)N1CCCCCC1)SC2=C(C=NC=C2)N

InChI

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