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

Systemtic Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenyl-4-pyrimidinyl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[5-[(4-chlorophenyl)methyl]-6-methyl-2-phenylpyrimidin-4-yl]-1,4-diazepan-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[5-(4-chlorobenzyl)-6-methyl-2-phenyl-pyrimidin-4-yl]-1,4-diazepan-1-yl]-2-(phenylthio)ethanone Formula: C31H31ClN4OS MolecularWeight: 543.12204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

Isomeric SMILES

CC1=C(C(=NC(=N1)C2=CC=CC=C2)N3CCCN(CC3)C(=O)CSC4=CC=CC=C4)CC5=CC=C(C=C5)Cl

InChI

InChI=1S/C31H31ClN4OS/c1-23-28(21-24-13-15-26(32)16-14-24)31(34-30(33-23)25-9-4-2-5-10-25)36-18-8-17-35(19-20-36)29(37)22-38-27-11-6-3-7-12-27/h2-7,9-16H,8,17-22H2,1H3