6-chloranyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methylsulfanyl-5-phenyl-pyrimidin-4-amine

Systemtic Name: 6-chloranyl-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methylsulfanyl-5-phenyl-pyrimidin-4-amine Openeye Name: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methylsulfanyl-5-phenyl-pyrimidin-4-amine CAS Name: 6-chloro-N-[[(2R)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-2-(methylthio)-5-phenyl-4-pyrimidinamine IUPAC Name: 6-chloro-N-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-2-methylsulfanyl-5-phenylpyrimidin-4-amine Traditional Name: [6-chloro-2-(methylthio)-5-phenyl-pyrimidin-4-yl]-[[(2R)-1-ethylpyrrolidin-1-ium-2-yl]methyl]amine Formula: C18H24ClN4S+ MolecularWeight: 363.92796

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC2=C(C(=NC(=N2)SC)Cl)C3=CC=CC=C3

Isomeric SMILES

CC[NH+]1CCC[C@@H]1CNC2=C(C(=NC(=N2)SC)Cl)C3=CC=CC=C3

InChI

InChI=1S/C18H23ClN4S/c1-3-23-11-7-10-14(23)12-20-17-15(13-8-5-4-6-9-13)16(19)21-18(22-17)24-2/h4-6,8-9,14H,3,7,10-12H2,1-2H3,(H,20,21,22)/p+1/t14-/m1/s1