2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide

Systemtic Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]ethanamide Openeye Name: 2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide CAS Name: 2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)phenyl]acetamide IUPAC Name: 2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Traditional Name: 2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide Formula: C24H27N4OS+ MolecularWeight: 419.56238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)NC3=CC=C(C=C3)C[NH+]4CCCC4

InChI

InChI=1S/C24H26N4OS/c1-18-15-22(20-7-3-2-4-8-20)27-24(25-18)30-17-23(29)26-21-11-9-19(10-12-21)16-28-13-5-6-14-28/h2-4,7-12,15H,5-6,13-14,16-17H2,1H3,(H,26,29)/p+1