5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate

Systemtic Name: 5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Openeye Name: 5-[[4-ethyl-6-[(2S)-2-methyl-1-piperidyl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate CAS Name: 5-[[[4-ethyl-6-[(2S)-2-methyl-1-piperidinyl]-2-pyrimidinyl]thio]methyl]-2-furancarboxylate IUPAC Name: 5-[[4-ethyl-6-[(2S)-2-methylpiperidin-1-yl]pyrimidin-2-yl]sulfanylmethyl]furan-2-carboxylate Traditional Name: 5-[[[4-ethyl-6-[(2S)-2-methylpiperidino]pyrimidin-2-yl]thio]methyl]-2-furoate Formula: C18H22N3O3S- MolecularWeight: 360.45058

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N3CCCCC3C

Isomeric SMILES

CCC1=CC(=NC(=N1)SCC2=CC=C(O2)C(=O)[O-])N3CCCC[C@@H]3C

InChI

InChI=1S/C18H23N3O3S/c1-3-13-10-16(21-9-5-4-6-12(21)2)20-18(19-13)25-11-14-7-8-15(24-14)17(22)23/h7-8,10,12H,3-6,9,11H2,1-2H3,(H,22,23)/p-1/t12-/m0/s1