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

Systemtic Name: 2-(4-chloranyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-N-(phenylmethyl)ethanamide Openeye Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-yl-pyrimidin-2-yl)sulfanyl-acetamide CAS Name: 2-[[4-chloro-6-(1-pyrrolidinyl)-2-pyrimidinyl]thio]-N-(phenylmethyl)acetamide IUPAC Name: N-benzyl-2-(4-chloro-6-pyrrolidin-1-ylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-benzyl-2-[(4-chloro-6-pyrrolidino-pyrimidin-2-yl)thio]acetamide Formula: C17H19ClN4OS MolecularWeight: 362.87696

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=CC(=NC(=N2)SCC(=O)NCC3=CC=CC=C3)Cl

InChI

InChI=1S/C17H19ClN4OS/c18-14-10-15(22-8-4-5-9-22)21-17(20-14)24-12-16(23)19-11-13-6-2-1-3-7-13/h1-3,6-7,10H,4-5,8-9,11-12H2,(H,19,23)