2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one

Systemtic Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-1H-pyrimidin-6-one Openeye Name: 2-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-1H-pyrimidin-6-one CAS Name: 2-[[2-[(3R,5R)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-1H-pyrimidin-6-one IUPAC Name: 2-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one Traditional Name: 2-[[2-[(3R,5R)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-1H-pyrimidin-6-one Formula: C13H19N3O2S MolecularWeight: 281.37386

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC=CC(=O)N2)C

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S/c1-9-5-10(2)7-16(6-9)12(18)8-19-13-14-4-3-11(17)15-13/h3-4,9-10H,5-8H2,1-2H3,(H,14,15,17)/t9-,10-/m1/s1