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

Systemtic Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Openeye Name: 3-[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]sulfanylmethyl]-N-(tetrahydrofuran-2-ylmethyl)benzamide CAS Name: 3-[[[4-(dimethylamino)-6-phenyl-2-pyrimidinyl]thio]methyl]-N-(2-oxolanylmethyl)benzamide IUPAC Name: 3-[[4-(dimethylamino)-6-phenylpyrimidin-2-yl]sulfanylmethyl]-N-(oxolan-2-ylmethyl)benzamide Traditional Name: 3-[[[4-(dimethylamino)-6-phenyl-pyrimidin-2-yl]thio]methyl]-N-(tetrahydrofurfuryl)benzamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCC4CCCO4

Isomeric SMILES

CN(C)C1=NC(=NC(=C1)C2=CC=CC=C2)SCC3=CC=CC(=C3)C(=O)NCC4CCCO4

InChI

InChI=1S/C25H28N4O2S/c1-29(2)23-15-22(19-9-4-3-5-10-19)27-25(28-23)32-17-18-8-6-11-20(14-18)24(30)26-16-21-12-7-13-31-21/h3-6,8-11,14-15,21H,7,12-13,16-17H2,1-2H3,(H,26,30)