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

Systemtic Name: 2-[2-[(2-methoxy-2-oxidanylidene-ethyl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2-methoxy-2-oxo-ethyl)amino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2-methoxy-2-oxoethyl)amino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(2-keto-2-methoxy-ethyl)amino]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)NCC(=O)OC)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O4S/c1-3-4-8-5-9(16)15-12(14-8)20-7-10(17)13-6-11(18)19-2/h5H,3-4,6-7H2,1-2H3,(H,13,17)(H,14,15,16)/p-1