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

Systemtic Name: 2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxidanylidene-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate Openeye Name: 2-[2-[(2R)-2-methylindolin-1-yl]-2-oxo-ethyl]sulfanyl-6-propyl-pyrimidin-4-olate CAS Name: 2-[[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]thio]-6-propyl-4-pyrimidinolate IUPAC Name: 2-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]sulfanyl-6-propylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-[(2R)-2-methylindolin-1-yl]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)SCC(=O)N2C(CC3=CC=CC=C32)C)[O-]

Isomeric SMILES

CCCC1=CC(=NC(=N1)SCC(=O)N2[C@@H](CC3=CC=CC=C32)C)[O-]

InChI

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