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

Systemtic Name: 3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 3-[[4-(4-methylpiperazin-1-yl)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: 3-[[[4-(4-methyl-1-piperazinyl)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 3-[[4-(4-methylpiperazin-1-yl)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 3-[[[4-(4-methylpiperazino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(2-morpholinoethyl)benzamide Formula: C29H36N6O2S MolecularWeight: 532.70014

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCN5CCOCC5

Isomeric SMILES

CN1CCN(CC1)C2=NC(=NC(=C2)C3=CC=CC=C3)SCC4=CC=CC(=C4)C(=O)NCCN5CCOCC5

InChI

InChI=1S/C29H36N6O2S/c1-33-12-14-35(15-13-33)27-21-26(24-7-3-2-4-8-24)31-29(32-27)38-22-23-6-5-9-25(20-23)28(36)30-10-11-34-16-18-37-19-17-34/h2-9,20-21H,10-19,22H2,1H3,(H,30,36)