2-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[2-(ethoxycarbonylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(ethoxycarbonylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-(ethoxycarbonylamino)-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(ethoxycarbonylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(carbethoxyamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C12H16N3O4S- MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)OCC)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)OCC)[O-]

InChI

InChI=1S/C12H17N3O4S/c1-3-5-8-6-9(16)14-11(13-8)20-7-10(17)15-12(18)19-4-2/h6H,3-5,7H2,1-2H3,(H,13,14,16)(H,15,17,18)/p-1