N-ethyl-N-methyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide

Systemtic Name: N-ethyl-N-methyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide Openeye Name: N-ethyl-N-methyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]benzamide CAS Name: N-ethyl-N-methyl-3-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]benzamide IUPAC Name: N-ethyl-N-methyl-3-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]benzamide Traditional Name: N-ethyl-N-methyl-3-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]benzamide Formula: C26H31N5OS MolecularWeight: 461.62224

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

Isomeric SMILES

CCN(C)C(=O)C1=CC(=CC=C1)CSC2=NC(=CC(=N2)N3CCN(CC3)C)C4=CC=CC=C4

InChI

InChI=1S/C26H31N5OS/c1-4-30(3)25(32)22-12-8-9-20(17-22)19-33-26-27-23(21-10-6-5-7-11-21)18-24(28-26)31-15-13-29(2)14-16-31/h5-12,17-18H,4,13-16,19H2,1-3H3