N-(2-ethoxyphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(2-ethoxyphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(2-ethoxyphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(2-ethoxyphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(2-ethoxyphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-o-phenetyl-butyramide Formula: C23H25N3O2S MolecularWeight: 407.5285

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C(=O)NC1=CC=CC=C1OCC)SC2=NC(=NC(=C2)C3=CC=CC=C3)C

InChI

InChI=1S/C23H25N3O2S/c1-4-21(23(27)26-18-13-9-10-14-20(18)28-5-2)29-22-15-19(24-16(3)25-22)17-11-7-6-8-12-17/h6-15,21H,4-5H2,1-3H3,(H,26,27)