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

Systemtic Name: 4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-oxazepane Openeye Name: 4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-oxazepane CAS Name: 4-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]-1,4-oxazepane IUPAC Name: 4-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]-1,4-oxazepane Traditional Name: 4-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]-1,4-oxazepane Formula: C17H29N3OS MolecularWeight: 323.49666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)CN2CCCOCC2)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)CN2CCCOCC2)C

InChI

InChI=1S/C17H29N3OS/c1-3-4-5-6-12-22-17-18-15(2)13-16(19-17)14-20-8-7-10-21-11-9-20/h13H,3-12,14H2,1-2H3