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

Systemtic Name: 1-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-4-(phenylmethyl)-1,4-diazepane Openeye Name: 1-benzyl-4-[(2-hexylsulfanyl-6-methyl-pyrimidin-4-yl)methyl]-1,4-diazepane CAS Name: 1-[[2-(hexylthio)-6-methyl-4-pyrimidinyl]methyl]-4-(phenylmethyl)-1,4-diazepane IUPAC Name: 1-benzyl-4-[(2-hexylsulfanyl-6-methylpyrimidin-4-yl)methyl]-1,4-diazepane Traditional Name: 1-benzyl-4-[[2-(hexylthio)-6-methyl-pyrimidin-4-yl]methyl]-1,4-diazepane Formula: C24H36N4S MolecularWeight: 412.63444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC(=CC(=N1)CN2CCCN(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCCCCCSC1=NC(=CC(=N1)CN2CCCN(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C24H36N4S/c1-3-4-5-9-17-29-24-25-21(2)18-23(26-24)20-28-14-10-13-27(15-16-28)19-22-11-7-6-8-12-22/h6-8,11-12,18H,3-5,9-10,13-17,19-20H2,1-2H3