6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 6-methyl-2-[2-[(3R)-3-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 6-methyl-2-[[2-[(3R)-3-methyl-1-piperidinyl]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 6-methyl-2-[2-[(3R)-3-methylpiperidin-1-yl]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(3R)-3-methylpiperidino]ethyl]thio]-6-methyl-pyrimidin-4-olate Formula: C13H18N3O2S- MolecularWeight: 280.36592

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)[O-])C

Isomeric SMILES

C[C@@H]1CCCN(C1)C(=O)CSC2=NC(=CC(=N2)[O-])C

InChI

InChI=1S/C13H19N3O2S/c1-9-4-3-5-16(7-9)12(18)8-19-13-14-10(2)6-11(17)15-13/h6,9H,3-5,7-8H2,1-2H3,(H,14,15,17)/p-1/t9-/m1/s1