2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)pyrimidin-4-olate

Systemtic Name: 2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxy-2-oxidanylidene-ethyl]sulfanyl-6-(phenylmethyl)pyrimidin-4-olate Openeye Name: 6-benzyl-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxy-2-oxo-ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-2-oxoethyl]thio]-6-(phenylmethyl)-4-pyrimidinolate IUPAC Name: 6-benzyl-2-[2-(4-methyl-2-oxochromen-7-yl)oxy-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 6-benzyl-2-[[2-keto-2-(2-keto-4-methyl-chromen-7-yl)oxy-ethyl]thio]pyrimidin-4-olate Formula: C23H17N2O5S- MolecularWeight: 433.45648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC3=NC(=CC(=N3)[O-])CC4=CC=CC=C4

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)CSC3=NC(=CC(=N3)[O-])CC4=CC=CC=C4

InChI

InChI=1S/C23H18N2O5S/c1-14-9-21(27)30-19-12-17(7-8-18(14)19)29-22(28)13-31-23-24-16(11-20(26)25-23)10-15-5-3-2-4-6-15/h2-9,11-12H,10,13H2,1H3,(H,24,25,26)/p-1