1-(azepan-1-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanone Openeye Name: 1-(azepan-1-yl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-ethanone CAS Name: 1-(1-azepanyl)-2-[(6-phenyl-4-pyrimidinyl)thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-(6-phenylpyrimidin-4-yl)sulfanylethanone Traditional Name: 1-(azepan-1-yl)-2-[(6-phenylpyrimidin-4-yl)thio]ethanone Formula: C18H21N3OS MolecularWeight: 327.44384

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

C1CCCN(CC1)C(=O)CSC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C18H21N3OS/c22-18(21-10-6-1-2-7-11-21)13-23-17-12-16(19-14-20-17)15-8-4-3-5-9-15/h3-5,8-9,12,14H,1-2,6-7,10-11,13H2