2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoic acid

Systemtic Name: 2-(4-azanyl-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylethanoic acid Openeye Name: 2-(4-amino-5-ethoxycarbonyl-pyrimidin-2-yl)sulfanylacetic acid CAS Name: 2-[(4-amino-5-ethoxycarbonyl-2-pyrimidinyl)thio]acetic acid IUPAC Name: 2-(4-amino-5-ethoxycarbonylpyrimidin-2-yl)sulfanylacetic acid Traditional Name: 2-[(4-amino-5-carbethoxy-pyrimidin-2-yl)thio]acetic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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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)