4-azanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 4-azanyl-2-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 4-amino-2-(2-ethoxy-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylic acid CAS Name: 4-amino-2-[(2-ethoxy-2-oxoethyl)thio]-5-pyrimidinecarboxylic acid IUPAC Name: 4-amino-2-(2-ethoxy-2-oxoethyl)sulfanylpyrimidine-5-carboxylic acid Traditional Name: 4-amino-2-[(2-ethoxy-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid Formula: C9H11N3O4S MolecularWeight: 257.26634

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NC=C(C(=N1)N)C(=O)O

Isomeric SMILES

CCOC(=O)CSC1=NC=C(C(=N1)N)C(=O)O

InChI

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