2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoate

Systemtic Name: 2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoate Openeye Name: 2-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylacetate CAS Name: 2-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]acetate IUPAC Name: 2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetate Traditional Name: 2-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]acetate Formula: C9H10N3O4S- MolecularWeight: 256.2584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)[O-]

InChI

InChI=1S/C9H11N3O4S/c1-2-16-8(15)5-3-11-9(12-7(5)10)17-4-6(13)14/h3H,2,4H2,1H3,(H,13,14)(H2,10,11,12)/p-1