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

Systemtic Name: 5-cyano-2-[2-[[4-(2-ethoxy-2-oxidanylidene-ethyl)-1,3-thiazol-2-yl]amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-[[4-(2-ethoxy-2-oxo-ethyl)thiazol-2-yl]amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-[[4-(2-ethoxy-2-oxoethyl)-2-thiazolyl]amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-[[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-[[4-(2-ethoxy-2-keto-ethyl)thiazol-2-yl]amino]-2-keto-ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C20H16N5O4S2- MolecularWeight: 454.50214

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC1=CSC(=N1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H17N5O4S2/c1-2-29-16(27)8-13-10-30-19(22-13)23-15(26)11-31-20-24-17(12-6-4-3-5-7-12)14(9-21)18(28)25-20/h3-7,10H,2,8,11H2,1H3,(H,22,23,26)(H,24,25,28)/p-1