ethyl 2-[2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(5-ethyl-6-oxidanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylethanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[[2-(5-ethyl-6-hydroxy-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(5-ethyl-6-hydroxy-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(5-ethyl-6-hydroxy-4-oxo-1-phenylpyrimidin-2-yl)sulfanylacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[[2-[(5-ethyl-6-hydroxy-4-keto-1-phenyl-pyrimidin-2-yl)thio]acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H22N4O5S2 MolecularWeight: 474.55318

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CC=C3)O

Isomeric SMILES

CCC1=C(N(C(=NC1=O)SCC(=O)NC2=NC(=C(S2)C(=O)OCC)C)C3=CC=CC=C3)O

InChI

InChI=1S/C21H22N4O5S2/c1-4-14-17(27)24-21(25(18(14)28)13-9-7-6-8-10-13)31-11-15(26)23-20-22-12(3)16(32-20)19(29)30-5-2/h6-10,28H,4-5,11H2,1-3H3,(H,22,23,26)