4-[[4-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]phenyl]carbonylpiperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]phenyl]-oxomethyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]benzoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]benzoyl]piperazino]methyl]benzonitrile Formula: C26H27N5OS MolecularWeight: 457.59048

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2C(=O)N3CCN(CC3)CC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C26H27N5OS/c1-19-15-20(2)29-26(28-19)33-18-23-5-3-4-6-24(23)25(32)31-13-11-30(12-14-31)17-22-9-7-21(16-27)8-10-22/h3-10,15H,11-14,17-18H2,1-2H3