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

Systemtic Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-yl-4-pyrimidinyl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-(6-methyl-2-phenyl-5-propan-2-ylpyrimidin-4-yl)-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-(5-isopropyl-6-methyl-2-phenyl-pyrimidin-4-yl)-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C27H32N4OS MolecularWeight: 460.63418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)C(C)C

InChI

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