2-[1-[6-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]pyrimidin-4-yl]sulfanylbutan-2-yloxy]-2-oxidanylidene-ethanoic acid

Systemtic Name: 2-[1-[6-[(2-ethoxy-2-oxidanylidene-ethanoyl)amino]pyrimidin-4-yl]sulfanylbutan-2-yloxy]-2-oxidanylidene-ethanoic acid Openeye Name: 2-[1-[[6-[(2-ethoxy-2-oxo-acetyl)amino]pyrimidin-4-yl]sulfanylmethyl]propoxy]-2-oxo-acetic acid CAS Name: 2-[1-[[6-[(2-ethoxy-1,2-dioxoethyl)amino]-4-pyrimidinyl]thio]butan-2-yloxy]-2-oxoacetic acid IUPAC Name: 2-[1-[6-[(2-ethoxy-2-oxoacetyl)amino]pyrimidin-4-yl]sulfanylbutan-2-yloxy]-2-oxoacetic acid Traditional Name: 2-[1-[[[6-(ethoxalylamino)pyrimidin-4-yl]thio]methyl]propoxy]-2-keto-acetic acid Formula: C14H17N3O7S MolecularWeight: 371.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CSC1=NC=NC(=C1)NC(=O)C(=O)OCC)OC(=O)C(=O)O

Isomeric SMILES

CCC(CSC1=NC=NC(=C1)NC(=O)C(=O)OCC)OC(=O)C(=O)O

InChI

InChI=1S/C14H17N3O7S/c1-3-8(24-14(22)12(19)20)6-25-10-5-9(15-7-16-10)17-11(18)13(21)23-4-2/h5,7-8H,3-4,6H2,1-2H3,(H,19,20)(H,15,16,17,18)