3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide

Systemtic Name: 3-[[4-chloranyl-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Openeye Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide CAS Name: 3-[[[4-chloro-6-(dimethylamino)-2-pyrimidinyl]thio]methyl]-N-[2-(1-pyrrolidin-1-iumyl)ethyl]benzamide IUPAC Name: 3-[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]sulfanylmethyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Traditional Name: 3-[[[4-chloro-6-(dimethylamino)pyrimidin-2-yl]thio]methyl]-N-(2-pyrrolidin-1-ium-1-ylethyl)benzamide Formula: C20H27ClN5OS+ MolecularWeight: 420.97928

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+]3CCCC3)Cl

Isomeric SMILES

CN(C)C1=CC(=NC(=N1)SCC2=CC=CC(=C2)C(=O)NCC[NH+]3CCCC3)Cl

InChI

InChI=1S/C20H26ClN5OS/c1-25(2)18-13-17(21)23-20(24-18)28-14-15-6-5-7-16(12-15)19(27)22-8-11-26-9-3-4-10-26/h5-7,12-13H,3-4,8-11,14H2,1-2H3,(H,22,27)/p+1