3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide

Systemtic Name: 3-[(4-methyl-6-morpholin-4-yl-pyrimidin-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[(4-methyl-6-morpholino-pyrimidin-2-yl)sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[4-methyl-6-(4-morpholinyl)-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[(4-methyl-6-morpholino-pyrimidin-2-yl)thio]methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CCCO3)N4CCOCC4

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC3CCCO3)N4CCOCC4

InChI

InChI=1S/C22H28N4O3S/c1-16-12-20(26-7-10-28-11-8-26)25-22(24-16)30-15-17-4-2-5-18(13-17)21(27)23-14-19-6-3-9-29-19/h2,4-5,12-13,19H,3,6-11,14-15H2,1H3,(H,23,27)