2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2S)-2-methyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2S)-2-methyl-1-piperidinyl]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(2S)-2-methylpiperidino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSC2=NC(=CC(=N2)[O-])C3=CC=CC=C3

InChI

InChI=1S/C18H21N3O2S/c1-13-7-5-6-10-21(13)17(23)12-24-18-19-15(11-16(22)20-18)14-8-3-2-4-9-14/h2-4,8-9,11,13H,5-7,10,12H2,1H3,(H,19,20,22)/p-1/t13-/m0/s1