[4-[2-azanyl-1-ethyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-5-oxidanylidene-imidazol-4-yl]phenyl] methanesulfonate

Systemtic Name: [4-[2-azanyl-1-ethyl-4-(4-fluoranyl-3-pyrimidin-5-yl-phenyl)-5-oxidanylidene-imidazol-4-yl]phenyl] methanesulfonate Openeye Name: [4-[2-amino-1-ethyl-4-(4-fluoro-3-pyrimidin-5-yl-phenyl)-5-oxo-imidazol-4-yl]phenyl] methanesulfonate CAS Name: methanesulfonic acid [4-[2-amino-1-ethyl-4-[4-fluoro-3-(5-pyrimidinyl)phenyl]-5-oxo-4-imidazolyl]phenyl] ester IUPAC Name: [4-[2-amino-1-ethyl-4-(4-fluoro-3-pyrimidin-5-ylphenyl)-5-oxoimidazol-4-yl]phenyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[2-amino-1-ethyl-4-[4-fluoro-3-(5-pyrimidyl)phenyl]-5-keto-2-imidazolin-4-yl]phenyl] ester Formula: C22H20FN5O4S MolecularWeight: 469.488703

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

Isomeric SMILES

CCN1C(=O)C(N=C1N)(C2=CC=C(C=C2)OS(=O)(=O)C)C3=CC(=C(C=C3)F)C4=CN=CN=C4

InChI

InChI=1S/C22H20FN5O4S/c1-3-28-20(29)22(27-21(28)24,15-4-7-17(8-5-15)32-33(2,30)31)16-6-9-19(23)18(10-16)14-11-25-13-26-12-14/h4-13H,3H2,1-2H3,(H2,24,27)