3-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide

Systemtic Name: 3-[[4-(4-ethanoylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(phenylmethyl)benzamide Openeye Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-benzyl-benzamide CAS Name: 3-[[[4-(4-acetyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(phenylmethyl)benzamide IUPAC Name: 3-[[4-(4-acetylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-benzylbenzamide Traditional Name: 3-[[[4-(4-acetylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-benzyl-benzamide Formula: C31H31N5O2S MolecularWeight: 537.67514

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCC5=CC=CC=C5

InChI

InChI=1S/C31H31N5O2S/c1-23(37)35-15-17-36(18-16-35)29-20-28(26-12-6-3-7-13-26)33-31(34-29)39-22-25-11-8-14-27(19-25)30(38)32-21-24-9-4-2-5-10-24/h2-14,19-20H,15-18,21-22H2,1H3,(H,32,38)