ethane; N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: ethane; N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: ethane; N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: ethane; N-(2-ethoxyphenyl)-2-[(6-methyl-4-pyrimidinyl)thio]butanamide IUPAC Name: ethane; N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: ethane; 2-[(6-methylpyrimidin-4-yl)thio]-N-o-phenetyl-butyramide Formula: C19H27N3O2S MolecularWeight: 361.50158

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Descriptors Computed from Structure

Canonical SMILES:

CC.CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC=NC(=C2)C

Isomeric SMILES

CC.CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC=NC(=C2)C

InChI

InChI=1S/C17H21N3O2S.C2H6/c1-4-15(23-16-10-12(3)18-11-19-16)17(21)20-13-8-6-7-9-14(13)22-5-2;1-2/h6-11,15H,4-5H2,1-3H3,(H,20,21);1-2H3