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

Systemtic Name: 1-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]azepane Openeye Name: 1-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]azepane CAS Name: 1-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]azepane IUPAC Name: 1-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]azepane Traditional Name: 1-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]azepane Formula: C18H31N3S MolecularWeight: 321.52384

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)CN2CCCCCC2)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)CN2CCCCCC2)C

InChI

InChI=1S/C18H31N3S/c1-3-4-5-10-13-22-18-19-16(2)14-17(20-18)15-21-11-8-6-7-9-12-21/h14H,3-13,15H2,1-2H3