2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-6-propan-2-yl-pyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-6-propan-2-yl-pyrimidin-4-olate Openeye Name: 6-isopropyl-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-oxo-2-(phenethylamino)ethyl]thio]-6-propan-2-yl-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-6-propan-2-ylpyrimidin-4-olate Traditional Name: 6-isopropyl-2-[[2-keto-2-(phenethylamino)ethyl]thio]pyrimidin-4-olate Formula: C17H20N3O2S- MolecularWeight: 330.4246

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-]

Isomeric SMILES

CC(C)C1=CC(=NC(=N1)SCC(=O)NCCC2=CC=CC=C2)[O-]

InChI

InChI=1S/C17H21N3O2S/c1-12(2)14-10-15(21)20-17(19-14)23-11-16(22)18-9-8-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,18,22)(H,19,20,21)/p-1