6-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-ethyl-2-[[2-(4-methyl-1-piperazinyl)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-ethyl-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-ethyl-2-[[2-keto-2-(4-methylpiperazino)ethyl]thio]pyrimidin-4-olate Formula: C13H19N4O2S- MolecularWeight: 295.38056

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C)[O-]

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C)[O-]

InChI

InChI=1S/C13H20N4O2S/c1-3-10-8-11(18)15-13(14-10)20-9-12(19)17-6-4-16(2)5-7-17/h8H,3-7,9H2,1-2H3,(H,14,15,18)/p-1