1-[4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]-1,4-diazepan-1-yl]ethanone Formula: C19H32N4OS MolecularWeight: 364.54858

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)CN2CCCN(CC2)C(=O)C)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)CN2CCCN(CC2)C(=O)C)C

InChI

InChI=1S/C19H32N4OS/c1-4-5-6-7-13-25-19-20-16(2)14-18(21-19)15-22-9-8-10-23(12-11-22)17(3)24/h14H,4-13,15H2,1-3H3