1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[6-ethyl-2-methyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[6-ethyl-2-methyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[6-ethyl-2-methyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C28H34N4OS MolecularWeight: 474.66076

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CSC3=CC=CC=C3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCC1=C(C(=NC(=N1)C)N2CCCN(CC2)C(=O)CSC3=CC=CC=C3)CC4=CC=C(C=C4)C

InChI

InChI=1S/C28H34N4OS/c1-4-26-25(19-23-13-11-21(2)12-14-23)28(30-22(3)29-26)32-16-8-15-31(17-18-32)27(33)20-34-24-9-6-5-7-10-24/h5-7,9-14H,4,8,15-20H2,1-3H3