5-ethyl-6-methyl-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate

Systemtic Name: 5-ethyl-6-methyl-2-[2-oxidanylidene-2-[(4-phenylmethoxyphenyl)amino]ethyl]sulfanyl-pyrimidin-4-olate Openeye Name: 2-[2-(4-benzyloxyanilino)-2-oxo-ethyl]sulfanyl-5-ethyl-6-methyl-pyrimidin-4-olate CAS Name: 5-ethyl-6-methyl-2-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]thio]-4-pyrimidinolate IUPAC Name: 5-ethyl-6-methyl-2-[2-oxo-2-(4-phenylmethoxyanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-benzoxyanilino)-2-keto-ethyl]thio]-5-ethyl-6-methyl-pyrimidin-4-olate Formula: C22H22N3O3S- MolecularWeight: 408.49338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=C(N=C(N=C1[O-])SCC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-3-19-15(2)23-22(25-21(19)27)29-14-20(26)24-17-9-11-18(12-10-17)28-13-16-7-5-4-6-8-16/h4-12H,3,13-14H2,1-2H3,(H,24,26)(H,23,25,27)/p-1