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

Systemtic Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[2,6-dimethyl-5-(p-tolylmethyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[2,6-dimethyl-5-[(4-methylphenyl)methyl]pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[2,6-dimethyl-5-(4-methylbenzyl)pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C27H32N4OS MolecularWeight: 460.63418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(N=C(N=C2N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)C)C

InChI

InChI=1S/C27H32N4OS/c1-20-10-12-23(13-11-20)18-25-21(2)28-22(3)29-27(25)31-15-7-14-30(16-17-31)26(32)19-33-24-8-5-4-6-9-24/h4-6,8-13H,7,14-19H2,1-3H3