4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide

Systemtic Name: 4-[[4-chloranyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Openeye Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide CAS Name: 4-[[[4-chloro-6-(4-methyl-1-piperazinyl)-2-pyrimidinyl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide IUPAC Name: 4-[[4-chloro-6-(4-methylpiperazin-1-yl)pyrimidin-2-yl]sulfanylmethyl]-N-(3,3-diphenylpropyl)benzamide Traditional Name: 4-[[[4-chloro-6-(4-methylpiperazino)pyrimidin-2-yl]thio]methyl]-N-(3,3-diphenylpropyl)benzamide Formula: C32H34ClN5OS MolecularWeight: 572.16326

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

Isomeric SMILES

CN1CCN(CC1)C2=CC(=NC(=N2)SCC3=CC=C(C=C3)C(=O)NCCC(C4=CC=CC=C4)C5=CC=CC=C5)Cl

InChI

InChI=1S/C32H34ClN5OS/c1-37-18-20-38(21-19-37)30-22-29(33)35-32(36-30)40-23-24-12-14-27(15-13-24)31(39)34-17-16-28(25-8-4-2-5-9-25)26-10-6-3-7-11-26/h2-15,22,28H,16-21,23H2,1H3,(H,34,39)