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

Systemtic Name: 1-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-4-methyl-1,4-diazepane Openeye Name: 1-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-4-methyl-1,4-diazepane CAS Name: 1-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]-4-methyl-1,4-diazepane IUPAC Name: 1-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]-4-methyl-1,4-diazepane Traditional Name: 1-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]-4-methyl-1,4-diazepane Formula: C18H32N4S MolecularWeight: 336.53848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H32N4S/c1-4-5-6-7-13-23-18-19-16(2)14-17(20-18)15-22-10-8-9-21(3)11-12-22/h14H,4-13,15H2,1-3H3