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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

Isomeric SMILES

CC(C)N(C(C)C)C(=O)CSC1=NC(=CC(=N1)[O-])C2=CC=CC=C2

InChI

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