2-[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[bis(1,3-dimethyl-4-oxidanyl-6-oxidanylidene-2-sulfanylidene-pyrimidin-5-yl)methyl]-2-bromanyl-6-ethoxy-phenoxy]-N-phenyl-ethanamide Openeye Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-thioxo-pyrimidin-5-yl)methyl]-2-bromo-6-ethoxy-phenoxy]-N-phenyl-acetamide CAS Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidene-5-pyrimidinyl)methyl]-2-bromo-6-ethoxyphenoxy]-N-phenylacetamide IUPAC Name: 2-[4-[bis(4-hydroxy-1,3-dimethyl-6-oxo-2-sulfanylidenepyrimidin-5-yl)methyl]-2-bromo-6-ethoxyphenoxy]-N-phenylacetamide Traditional Name: 2-[4-[bis(4-hydroxy-6-keto-1,3-dimethyl-2-thioxo-pyrimidin-5-yl)methyl]-2-bromo-6-ethoxy-phenoxy]-N-phenyl-acetamide Formula: C29H30BrN5O7S2 MolecularWeight: 704.6118

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(C2=C(N(C(=S)N(C2=O)C)C)O)C3=C(N(C(=S)N(C3=O)C)C)O)Br)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(C2=C(N(C(=S)N(C2=O)C)C)O)C3=C(N(C(=S)N(C3=O)C)C)O)Br)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C29H30BrN5O7S2/c1-6-41-18-13-15(12-17(30)23(18)42-14-19(36)31-16-10-8-7-9-11-16)20(21-24(37)32(2)28(43)33(3)25(21)38)22-26(39)34(4)29(44)35(5)27(22)40/h7-13,20,37,39H,6,14H2,1-5H3,(H,31,36)