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

Systemtic Name: 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]-6-propyl-pyrimidin-4-olate Formula: C18H20N3O2S- MolecularWeight: 342.4353

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=NC(=N1)SC(C)C(=O)N2CCC3=CC=CC=C32)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)S[C@H](C)C(=O)N2CCC3=CC=CC=C32)[O-]

InChI

InChI=1S/C18H21N3O2S/c1-3-6-14-11-16(22)20-18(19-14)24-12(2)17(23)21-10-9-13-7-4-5-8-15(13)21/h4-5,7-8,11-12H,3,6,9-10H2,1-2H3,(H,19,20,22)/p-1/t12-/m1/s1