2-[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Openeye Name: 2-[(1S)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one CAS Name: 2-[[(2S)-1-[(2S,6S)-2,6-dimethyl-1-piperidinyl]-1-oxopropan-2-yl]thio]-6-propyl-1H-pyrimidin-4-one IUPAC Name: 2-[(2S)-1-[(2S,6S)-2,6-dimethylpiperidin-1-yl]-1-oxopropan-2-yl]sulfanyl-6-propyl-1H-pyrimidin-4-one Traditional Name: 2-[[(1S)-2-[(2S,6S)-2,6-dimethylpiperidino]-2-keto-1-methyl-ethyl]thio]-6-propyl-1H-pyrimidin-4-one Formula: C17H27N3O2S MolecularWeight: 337.48018

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=O)N=C(N1)SC(C)C(=O)N2C(CCCC2C)C

Isomeric SMILES

CCCC1=CC(=O)N=C(N1)S[C@@H](C)C(=O)N2[C@H](CCC[C@@H]2C)C

InChI

InChI=1S/C17H27N3O2S/c1-5-7-14-10-15(21)19-17(18-14)23-13(4)16(22)20-11(2)8-6-9-12(20)3/h10-13H,5-9H2,1-4H3,(H,18,19,21)/t11-,12-,13-/m0/s1