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

Systemtic Name: 3-[(4-ethyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Openeye Name: 3-[(4-ethyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-isobutyl-benzamide CAS Name: 3-[[[4-ethyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(2-methylpropyl)benzamide IUPAC Name: 3-[(4-ethyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(2-methylpropyl)benzamide Traditional Name: 3-[[(4-ethyl-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:

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCOCC3

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC(C)C)N3CCOCC3

InChI

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