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

Systemtic Name: 2-[2-[(2-methyl-6-propan-2-yl-phenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(2-isopropyl-6-methyl-anilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(2-methyl-6-propan-2-ylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(2-isopropyl-6-methyl-anilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H18N3O2S- MolecularWeight: 316.39802

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC1=C(C(=CC=C1)C(C)C)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C16H19N3O2S/c1-10(2)12-6-4-5-11(3)15(12)18-14(21)9-22-16-17-8-7-13(20)19-16/h4-8,10H,9H2,1-3H3,(H,18,21)(H,17,19,20)/p-1