2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-phenethyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-phenethyl-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: N-benzyl-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]-N-phenethyl-acetamide Formula: C25H27ClN4OS MolecularWeight: 467.02608

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)N(CCC3=CC=CC=C3)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C25H27ClN4OS/c26-22-17-23(29-14-7-8-15-29)28-25(27-22)32-19-24(31)30(18-21-11-5-2-6-12-21)16-13-20-9-3-1-4-10-20/h1-6,9-12,17H,7-8,13-16,18-19H2