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

Systemtic Name: 2-[2-(furan-2-ylmethylcarbamoylamino)-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-(2-furylmethylcarbamoylamino)-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[[(2-furanylmethylamino)-oxomethyl]amino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-(2-furfurylcarbamoylamino)-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C15H17N4O4S- MolecularWeight: 349.38488

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NCC2=CC=CO2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NC(=O)NCC2=CC=CO2)[O-]

InChI

InChI=1S/C15H18N4O4S/c1-2-4-10-7-12(20)19-15(17-10)24-9-13(21)18-14(22)16-8-11-5-3-6-23-11/h3,5-7H,2,4,8-9H2,1H3,(H,17,19,20)(H2,16,18,21,22)/p-1