2-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanoate; propan-2-ylazanium

Systemtic Name: 2-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-ethanoate; propan-2-ylazanium Openeye Name: 2-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanyl-acetate; isopropylammonium CAS Name: 2-cyclopentyl-2-[(4,6-dimethoxy-2-pyrimidinyl)thio]acetate; propan-2-ylammonium IUPAC Name: 2-cyclopentyl-2-(4,6-dimethoxypyrimidin-2-yl)sulfanylacetate; propan-2-ylazanium Traditional Name: 2-cyclopentyl-2-[(4,6-dimethoxypyrimidin-2-yl)thio]acetate; isopropylammonium Formula: C16H27N3O4S MolecularWeight: 357.46828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)[NH3+].COC1=CC(=NC(=N1)SC(C2CCCC2)C(=O)[O-])OC

Isomeric SMILES

CC(C)[NH3+].COC1=CC(=NC(=N1)SC(C2CCCC2)C(=O)[O-])OC

InChI

InChI=1S/C13H18N2O4S.C3H9N/c1-18-9-7-10(19-2)15-13(14-9)20-11(12(16)17)8-5-3-4-6-8;1-3(2)4/h7-8,11H,3-6H2,1-2H3,(H,16,17);3H,4H2,1-2H3