2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-(cyclohexylamino)-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(cyclohexylamino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(cyclohexylamino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(cyclohexylamino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(cyclohexylamino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C12H16N3O2S- MolecularWeight: 266.33934

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C12H17N3O2S/c16-10-6-7-13-12(15-10)18-8-11(17)14-9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,17)(H,13,15,16)/p-1