2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C16H17N4O4S- MolecularWeight: 361.39558

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[O-]

Isomeric SMILES

CC1=CC(=NC(=N1)SCC(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[O-]

InChI

InChI=1S/C16H18N4O4S/c1-11-9-13(21)18-16(17-11)25-10-14(22)19-4-6-20(7-5-19)15(23)12-3-2-8-24-12/h2-3,8-9H,4-7,10H2,1H3,(H,17,18,21)/p-1