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

Systemtic Name: 2-[2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[2-(2-furylmethylsulfanyl)ethylamino]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[2-(2-furanylmethylthio)ethylamino]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[2-(furan-2-ylmethylsulfanyl)ethylamino]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-[2-(2-furfurylthio)ethylamino]-2-keto-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C16H20N3O3S2- MolecularWeight: 366.4783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SCC(=O)NCCSCC2=CC=CO2)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)NCCSCC2=CC=CO2)[O-]

InChI

InChI=1S/C16H21N3O3S2/c1-2-4-12-9-14(20)19-16(18-12)24-11-15(21)17-6-8-23-10-13-5-3-7-22-13/h3,5,7,9H,2,4,6,8,10-11H2,1H3,(H,17,21)(H,18,19,20)/p-1