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

Systemtic Name: 3-[(4,5-dimethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4,5-dimethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[(4,5-dimethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[(4,5-dimethyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-isobutyl-benzamide Formula: C22H30N4O2S MolecularWeight: 414.5642

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)NCC(C)C)C

Isomeric SMILES

CC1=C(N=C(N=C1N2CCOCC2)SCC3=CC=CC(=C3)C(=O)NCC(C)C)C

InChI

InChI=1S/C22H30N4O2S/c1-15(2)13-23-21(27)19-7-5-6-18(12-19)14-29-22-24-17(4)16(3)20(25-22)26-8-10-28-11-9-26/h5-7,12,15H,8-11,13-14H2,1-4H3,(H,23,27)