2-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-[[2,6-di(propan-2-yl)phenyl]amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2,6-diisopropylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2,6-diisopropylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C18H22N3O2S- MolecularWeight: 344.45118

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C18H23N3O2S/c1-11(2)13-6-5-7-14(12(3)4)17(13)20-16(23)10-24-18-19-9-8-15(22)21-18/h5-9,11-12H,10H2,1-4H3,(H,20,23)(H,19,21,22)/p-1