5-cyano-6-(3-methoxyphenyl)-2-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-6-(3-methoxyphenyl)-2-[2-oxidanylidene-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 5-cyano-6-(3-methoxyphenyl)-2-[2-oxo-2-[(4-phenylthiazol-2-yl)amino]ethyl]sulfanyl-pyrimidin-4-olate CAS Name: 5-cyano-6-(3-methoxyphenyl)-2-[[2-oxo-2-[(4-phenyl-2-thiazolyl)amino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-cyano-6-(3-methoxyphenyl)-2-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]sulfanylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-[(4-phenylthiazol-2-yl)amino]ethyl]thio]-6-(3-methoxyphenyl)pyrimidin-4-olate Formula: C23H16N5O3S2- MolecularWeight: 474.53484

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)[O-])C#N

Isomeric SMILES

COC1=CC=CC(=C1)C2=C(C(=NC(=N2)SCC(=O)NC3=NC(=CS3)C4=CC=CC=C4)[O-])C#N

InChI

InChI=1S/C23H17N5O3S2/c1-31-16-9-5-8-15(10-16)20-17(11-24)21(30)28-23(27-20)33-13-19(29)26-22-25-18(12-32-22)14-6-3-2-4-7-14/h2-10,12H,13H2,1H3,(H,25,26,29)(H,27,28,30)/p-1