5-cyano-2-[[5-(6-ethoxy-6-oxidanylidene-hexanoyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]methylsulfanyl]-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[[5-(6-ethoxy-6-oxidanylidene-hexanoyl)-2-oxidanylidene-1,3-dihydroimidazol-4-yl]methylsulfanyl]-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[[5-(6-ethoxy-6-oxo-hexanoyl)-2-oxo-1,3-dihydroimidazol-4-yl]methylsulfanyl]-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[5-(6-ethoxy-1,6-dioxohexyl)-2-oxo-1,3-dihydroimidazol-4-yl]methylthio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[[5-(6-ethoxy-6-oxohexanoyl)-2-oxo-1,3-dihydroimidazol-4-yl]methylsulfanyl]-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[5-(6-ethoxy-6-keto-hexanoyl)-2-keto-4-imidazolin-4-yl]methylthio]-6-phenyl-pyrimidin-4-olate Formula: C23H22N5O5S- MolecularWeight: 480.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCC(=O)C1=C(NC(=O)N1)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H23N5O5S/c1-2-33-18(30)11-7-6-10-17(29)20-16(25-22(32)26-20)13-34-23-27-19(14-8-4-3-5-9-14)15(12-24)21(31)28-23/h3-5,8-9H,2,6-7,10-11,13H2,1H3,(H2,25,26,32)(H,27,28,31)/p-1