2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate

Systemtic Name: 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-(2-methylpropyl)-6-oxidanylidene-pyrimidin-4-olate Openeye Name: 2-[2-[(3R,5S)-3,5-dimethyl-1-piperidyl]-2-oxo-ethyl]sulfanyl-3-isobutyl-6-oxo-pyrimidin-4-olate CAS Name: 2-[[2-[(3R,5S)-3,5-dimethyl-1-piperidinyl]-2-oxoethyl]thio]-3-(2-methylpropyl)-6-oxo-4-pyrimidinolate IUPAC Name: 2-[2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]sulfanyl-3-(2-methylpropyl)-6-oxopyrimidin-4-olate Traditional Name: 2-[[2-[(3R,5S)-3,5-dimethylpiperidino]-2-keto-ethyl]thio]-3-isobutyl-6-keto-pyrimidin-4-olate Formula: C17H26N3O3S- MolecularWeight: 352.47164

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CN(C1)C(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-])C

Isomeric SMILES

C[C@@H]1C[C@@H](CN(C1)C(=O)CSC2=NC(=O)C=C(N2CC(C)C)[O-])C

InChI

InChI=1S/C17H27N3O3S/c1-11(2)7-20-15(22)6-14(21)18-17(20)24-10-16(23)19-8-12(3)5-13(4)9-19/h6,11-13,22H,5,7-10H2,1-4H3/p-1/t12-,13+