N-(2-adamantyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-adamantyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-adamantyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-(2-adamantyl)-2-[(4,6-diphenyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-(2-adamantyl)-2-(4,6-diphenylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-(2-adamantyl)-2-[(4,6-diphenylpyrimidin-2-yl)thio]acetamide Formula: C28H29N3OS MolecularWeight: 455.61436

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

C1C2CC3CC1CC(C2)C3NC(=O)CSC4=NC(=CC(=N4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C28H29N3OS/c32-26(31-27-22-12-18-11-19(14-22)15-23(27)13-18)17-33-28-29-24(20-7-3-1-4-8-20)16-25(30-28)21-9-5-2-6-10-21/h1-10,16,18-19,22-23,27H,11-15,17H2,(H,31,32)