2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2R,6R)-2,6-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-5-ethyl-6-methyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-5-ethyl-6-methylpyrimidin-4-olate Traditional Name: 2-[[2-[(2R,6R)-2,6-dimethylpiperidino]-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C16H24N3O2S- MolecularWeight: 322.44566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)N2C(CCCC2C)C)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)N2[C@@H](CCC[C@H]2C)C)C

InChI

InChI=1S/C16H25N3O2S/c1-5-13-12(4)17-16(18-15(13)21)22-9-14(20)19-10(2)7-6-8-11(19)3/h10-11H,5-9H2,1-4H3,(H,17,18,21)/p-1/t10-,11-/m1/s1