ethyl 3-[6-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]pyrimidin-4-yl]sulfanylpropanoate

Systemtic Name: ethyl 3-[6-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]pyrimidin-4-yl]sulfanylpropanoate Openeye Name: ethyl 3-[6-[(2-ethoxy-2-oxo-acetyl)amino]pyrimidin-4-yl]sulfanylpropanoate CAS Name: 3-[[6-[(2-ethoxy-1,2-dioxoethyl)amino]-4-pyrimidinyl]thio]propanoic acid ethyl ester IUPAC Name: ethyl 3-[6-[(2-ethoxy-2-oxoacetyl)amino]pyrimidin-4-yl]sulfanylpropanoate Traditional Name: 3-[[6-(ethoxalylamino)pyrimidin-4-yl]thio]propionic acid ethyl ester Formula: C13H17N3O5S MolecularWeight: 327.35618

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCSC1=NC=NC(=C1)NC(=O)C(=O)OCC

Isomeric SMILES

CCOC(=O)CCSC1=NC=NC(=C1)NC(=O)C(=O)OCC

InChI

InChI=1S/C13H17N3O5S/c1-3-20-11(17)5-6-22-10-7-9(14-8-15-10)16-12(18)13(19)21-4-2/h7-8H,3-6H2,1-2H3,(H,14,15,16,18)