2-[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylazanium

Systemtic Name: 2-[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylazanium Openeye Name: 2-[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]sulfanylethylammonium CAS Name: 2-[[(S)-(4,6-dimethoxy-2-pyrimidinyl)-phenylmethyl]thio]ethylammonium IUPAC Name: 2-[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenylmethyl]sulfanylethylazanium Traditional Name: 2-[[(S)-(4,6-dimethoxypyrimidin-2-yl)-phenyl-methyl]thio]ethylammonium Formula: C15H20N3O2S+ MolecularWeight: 306.4032

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)C(C2=CC=CC=C2)SCC[NH3+])OC

Isomeric SMILES

COC1=CC(=NC(=N1)[C@H](C2=CC=CC=C2)SCC[NH3+])OC

InChI

InChI=1S/C15H19N3O2S/c1-19-12-10-13(20-2)18-15(17-12)14(21-9-8-16)11-6-4-3-5-7-11/h3-7,10,14H,8-9,16H2,1-2H3/p+1/t14-/m0/s1