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

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanyl-6-methoxy-pyrimidin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanyl-6-methoxy-pyrimidin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-6-methoxy-4-pyrimidinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanyl-6-methoxypyrimidin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]-6-methoxy-pyrimidin-4-olate Formula: C13H18N3O3S- MolecularWeight: 296.36532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)[O-])SCC(=O)NC2CCCCC2

Isomeric SMILES

COC1=NC(=NC(=C1)[O-])SCC(=O)NC2CCCCC2

InChI

InChI=1S/C13H19N3O3S/c1-19-12-7-10(17)15-13(16-12)20-8-11(18)14-9-5-3-2-4-6-9/h7,9H,2-6,8H2,1H3,(H,14,18)(H,15,16,17)/p-1