2-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate

Systemtic Name: 2-[(2R)-1-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-(1H-indol-3-yl)-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-(1H-indol-3-yl)-2-keto-1-methyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H18N3O2S- MolecularWeight: 340.41942

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)C2=CNC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)C2=CNC3=CC=CC=C32)[O-]

InChI

InChI=1S/C18H19N3O2S/c1-3-6-12-9-16(22)21-18(20-12)24-11(2)17(23)14-10-19-15-8-5-4-7-13(14)15/h4-5,7-11,19H,3,6H2,1-2H3,(H,20,21,22)/p-1/t11-/m1/s1