3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide

Systemtic Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Openeye Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethyl-pyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholinoethyl)benzamide CAS Name: 3-[[[4-(4-ethyl-1-piperazinyl)-5,6-dimethyl-2-pyrimidinyl]thio]methyl]-N-[2-(4-morpholinyl)ethyl]benzamide IUPAC Name: 3-[[4-(4-ethylpiperazin-1-yl)-5,6-dimethylpyrimidin-2-yl]sulfanylmethyl]-N-(2-morpholin-4-ylethyl)benzamide Traditional Name: 3-[[[4-(4-ethylpiperazino)-5,6-dimethyl-pyrimidin-2-yl]thio]methyl]-N-(2-morpholinoethyl)benzamide Formula: C26H38N6O2S MolecularWeight: 498.68392

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NCCN4CCOCC4

Isomeric SMILES

CCN1CCN(CC1)C2=NC(=NC(=C2C)C)SCC3=CC=CC(=C3)C(=O)NCCN4CCOCC4

InChI

InChI=1S/C26H38N6O2S/c1-4-30-10-12-32(13-11-30)24-20(2)21(3)28-26(29-24)35-19-22-6-5-7-23(18-22)25(33)27-8-9-31-14-16-34-17-15-31/h5-7,18H,4,8-17,19H2,1-3H3,(H,27,33)